Beruflich Dokumente
Kultur Dokumente
Numerical
Simulation of
Power Plants
and Firing
Systems
Numerical Simulation of Power Plants and Firing
Systems
Heimo Walter • Bernd Epple
Editors
Numerical Simulation of
Power Plants and Firing
Systems
123
Editors
Heimo Walter Bernd Epple
Institute for Energy Systems Department of Energy Systems
and Thermodynamics and Technology
Vienna University of Technology Technical University of Darmstadt
Vienna, Austria Darmstadt, Germany
Translation from the German language edition: Simulation von Kraftwerken und Feuerungen by Bernd
Epple, Reinhard Leithner, Wladimir Linzer, Heimo Walter, © Springer-Verlag GmbH 2012. All Rights
Reserved.
© Springer-Verlag Wien 2017
This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of
the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation,
broadcasting, reproduction on microfilms or in any other physical way, and transmission or information
storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology
now known or hereafter developed.
The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication
does not imply, even in the absence of a specific statement, that such names are exempt from the relevant
protective laws and regulations and therefore free for general use.
The publisher, the authors and the editors are safe to assume that the advice and information in this book
are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or
the editors give a warranty, express or implied, with respect to the material contained herein or for any
errors or omissions that may have been made. The publisher remains neutral with regard to jurisdictional
claims in published maps and institutional affiliations.
The first edition of this comprehensive book for industry professionals and students
was so well received that it has been out of stock after two years already. Evidence
for this recognition can be found in the concluding paragraph of Bernd Platzer’s
extensive recension in the German specialist journal Zeitschrift FÜR Angewandte
Mathematik Und Mechanik 90/6, 528 (2010), which is translated in the following:
The book combines mathematical and in particular numerical methods with
the modeling of complex problems in process engineering. Detailed models of
fluid mechanics, and chemical engineering as well as heat and mass transfer are
profoundly discussed and skillfully explained by application cases in thermal plants.
The book is highly recommended for mathematicians in the field of numerical-
technical applications and process engineers. For interested students, it illustrates
how the knowledge of different scientific disciplines contributes to the solution of
technical problems and what capability state-of-the-art mathematical methods offer.
This book is a must-have for every student and professional in the field of power
plant engineering.
The recension was an additional incentive for us to create the second German and
the first English edition, in which (apart from correcting a number of minor mis-
takes) theoretical basics and implementation of the relatively new discrete element
method (DEM) were introduced. Furthermore, Chap. 8 “Monitoring” was extended
by a supplementary example on the simulation and monitoring of feedwater pumps
and the validation of measured data with the help of the new Z-algorithm.
We hope that the practical application of the various methods and examples
described in this book will be of great value to the reader. The publishers and the
authors also wish to express their gratitude to Mr. Tobias Müller for the help by the
editorial work.
v
vi Preface
The program FLOREAN and ENBIPRO can be received from the Institute of
Energy and Process Systems Engineering (InES) at the Technical University of
Braunschweig or from the Institute for Energy Systems and Thermodynamics (IET)
at the TU-Wien. The programs are free of charge for academic use. For industrial
use only a small fee has to be paid.
1 Introduction .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 1
1.1 Design and Simulation .. . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 1
1.2 Integration into Surrounding Systems and Life Cycle Modeling .. . . . 5
1.3 Simulation and Experiments.. . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 7
1.4 Mathematical and Numerical Models . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 9
1.5 Development of CFD to Simulate Reacting Flows in Furnaces . . . . . . 11
2 Conversion and Transport of Mass, Energy, Momentum,
and Materials .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 17
B. Epple, R. Leithner, H. Müller, K. Ponweiser, H. Walter,
and A. Werner
2.1 Balance Equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 17
2.1.1 Forms of the Time Derivative .. . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 17
2.1.2 Balance Equation for a General Balance Variable . . . . . . . . . . . 19
2.1.3 Mass Balance (Continuity Equation) .. . . .. . . . . . . . . . . . . . . . . . . . 25
2.1.4 Momentum Balance .. . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 26
2.1.5 Energy Balance (Performance Balance). .. . . . . . . . . . . . . . . . . . . . 29
2.1.6 Balance Equation of the Mechanical Energy (Power) .. . . . . . 31
2.1.7 Balance Equation of Thermal Energy (Power).. . . . . . . . . . . . . . 32
2.1.8 Balance Equation of Material Components . . . . . . . . . . . . . . . . . . 34
2.1.9 Steady-State and Transient States . . . . . . . .. . . . . . . . . . . . . . . . . . . . 34
2.2 Turbulence Models .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 37
2.2.1 Phenomenological Description . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 37
2.2.2 Turbulence Modeling.. . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 39
2.2.3 Classification of Turbulence Models . . . . .. . . . . . . . . . . . . . . . . . . . 39
2.2.4 Zero Equation Models.. . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 39
2.2.5 One-Equation Models .. . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 40
2.2.6 Two-Equation Models .. . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 40
2.2.7 The k-" Turbulence Model .. . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 40
2.2.8 Reynolds Stress Models .. . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 42
2.2.9 Large Eddy Simulation .. . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 44
vii
viii Contents
7.3.2
Simplified Transient Power Plant Simulation
with Analytical Models . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 629
7.3.3 Detailed Transient Power Plant Simulation . . . . . . . . . . . . . . . . . . 666
7.4 Verifying the Solvability of the Steady-State System
of Equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 687
7.4.1 General .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 687
7.4.2 Implementing the Verification Checks . . .. . . . . . . . . . . . . . . . . . . . 689
7.4.3 Simple Steam-Water Cycle as an Example . . . . . . . . . . . . . . . . . . 690
8 Monitoring .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 695
R. Leithner and A. Witkowski
8.1 Operation Monitoring .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 695
8.1.1 Introduction .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 695
8.1.2 Tasks, Scope, and Methods of Diagnostic Systems . . . . . . . . . . 696
8.1.3 List of Diagnostic Tasks in Conventional Steam
Power Plants and Gas and Steam Turbine
Combined-Cycle Plants . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 699
8.1.4 Requirements for Diagnostic Systems
in the Power Plant . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 700
8.2 Lifespan Monitoring . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 702
8.2.1 Problem Definition . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 702
8.2.2 Direct Measurement of the Wall Temperature Difference .. . 703
8.2.3 Calculation of the Wall Temperature Difference
from the Profile of a Wall Temperature . .. . . . . . . . . . . . . . . . . . . . 704
8.2.4 Determination of the Wall Temperature
Difference from the Profiles of the Steam
Temperature, the Steam Pressure, and the Steam
Mass Flow . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 704
8.2.5 Comparison of Measured and Calculated Values . . . . . . . . . . . . 705
8.2.6 Determination of the Wall Temperature
Difference, Using Steam Temperature and
Steam Pressure Measurements Alone . . . .. . . . . . . . . . . . . . . . . . . . 706
8.2.7 Comparison of Measured and Calculated Values . . . . . . . . . . . . 708
8.2.8 Stress Analysis and Lifetime Consumption .. . . . . . . . . . . . . . . . . 709
8.3 Monitoring of the Fouling and/or Slagging Condition
of Heating Surfaces and Soot Blower Control Devices . . . . . . . . . . . . . . . 712
8.3.1 Basics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 712
8.3.2 Applications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 712
8.4 Online Optimization of Combustion Systems with
Respect to Burn-Out and Pollutant Emission by
Combining the Sonic Pyrometry with the 3D Furnace
Simulation, or by Means of a Neuronal Network .. . . . . . . . . . . . . . . . . . . . 713
8.4.1 Problem Definition . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 713
8.4.2 Sonic Pyrometry .. . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 713
8.4.3 Fourier Series Expansion . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 714
xiv Contents
8.4.4
Algebraic Reconstruction Technique .. . . .. . . . . . . . . . . . . . . . . . . . 717
8.4.5
Comparison with Measurements from Suction
Pyrometry .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 718
8.4.6 Optimization of Combustion by Sonic
Pyrometry and Combustion Chamber Simulation
or by a Neuronal Network . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 719
8.5 Validating Measured Data . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 720
8.5.1 Correction Calculation According to
Gauss—Minimizing the Sum of Error Squares
(L2-Norm) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 722
8.5.2 Errors and Their Frequency Distribution .. . . . . . . . . . . . . . . . . . . . 723
8.5.3 Expected Value and Variance of an Error Distribution . . . . . . 724
8.5.4 Minimization of the Average Value of All Variances .. . . . . . . 724
8.5.5 Observations in Multidimensional Space . . . . . . . . . . . . . . . . . . . . 725
8.5.6 Solution of the Minimization Problem . . .. . . . . . . . . . . . . . . . . . . . 728
8.5.7 Evaluation of Acceptance Tests—VDI 2048 .. . . . . . . . . . . . . . . . 729
8.5.8 Determining Non-Contradictory Estimated Values .. . . . . . . . . 730
8.5.9 Evaluation of the Observations . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 731
8.5.10 Validated Measurement Result . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 732
8.5.11 Minimizing the Sum of the Absolute Values (L1 Norm) .. . . 732
8.5.12 Example: Applying the Above to a Heat
Recovery Steam Generator.. . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 732
8.5.13 Use of Simulation Programs (Cycle Simulation
Software) for Validation.. . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 734
8.6 The Tasks of a Monitoring, Protection, and Control
System for Turbomachinery . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 743
9 Checking Results, Accuracy, and Assessment . . . . . . . .. . . . . . . . . . . . . . . . . . . . 749
Glossary . . . . .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 755
References .. .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 763
Index . . . . . . . . .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . 807
Contributors
xv
Nomenclature
xvii
xviii Nomenclature
Subscripts
Symbol Notation
˛ Component
a Outside
ab Abrasion, to flow off
acc Accumulated
act Actual, actual value
abs Absorption
abso Absolute
ad Adiabatic
add Additionally
A Based on the surface area, cross-section area
AB From component A to component B
Ac Acceleration
Act Activation
Adh Adhesion
Ash Ash
Air; dr Dry air
Air; moi Humid (moist) air
Air; st Stoichiometric air
b Bottom, face
bend Elbow, bend
bin Binary
bl Boundary layer
(continued)
xxxiv Nomenclature
Symbol Notation
bl1 Outside of the boundary layer
blow Blow down
buo Burnout, burnup rate
bouy Buoyancy
brake Brake
break Break off
bundle Bundle
B Bottom, definition point, bubble
Bal Balance
Bas Basset
Bed Bed material
Beetstra Beetstra
Bind Binding
Bo Boltzmann
Bu Bubble
Bundle Bundle
ca Calcination
calc Calculated
cas Casing
char Characteristic
chem Chemical
cd Conduction (heat conduction)
cl Curvilinear
clad Clad, hull
col Collision
compl Complete
compr Compressor
cond Condensed
config Configuration
const Constant
consu Consumed, consumer
conv Convective
cool Cooling
corr Correction
coun Countercurrent
crit Critical
crys Crystallization
curr Current, actual, instantaneous
C Carbon, complex number
(continued)
Nomenclature xxxv
Symbol Notation
CA Char and ash
Cap Capillary
Ce Construction element
Char Char
CO2 Carbon dioxide
Coal Coal
Comp Component
Cont Contact
CP Convection pass
Core Core
Cov Conversion
Cube Cube
CV Control volume
d Dense bed
dt Derivative time
dc Downcomer
diff Diffusive, diffusion
diss Dissipation
drag Drag
dru Drum
dry Drying
D Steam
Da Damping
Dea Deaeration
Drop Drop
e East surface
e Equilibrium term in the stress tensor
eff Effective
el Electrical
env Environment
eq Equivalent
ext External
E East definition point, reactant
EDC Eddy-dissipation-concept
EDM Eddy-dissipation-model
En End, end point
Eq Equilibrium
Elst Electrostatics
Evap Evaporation, evaporator
(continued)
xxxvi Nomenclature
Symbol Notation
f Fluid, liquid
f !P Fluid-particle interaction
f0 The fluid exist as pure liquid
fc Allowance casing
feed Feedwater
fix Fix
fin Fin
fo Fouling, dirt
fr Freeboard, free, amount of exemption
F Fire, heat release of firing system
FB Fluidized bed
Ff Flame front
Fgas Flue gas, off gas
Fi Field
Fla Flame
FlaZ Flame zone
Flux Related to the area
Fric Friction
Fs Fine structure
Ft Film thickness
Fuel Fuel
Fur Furnace, combustion chamber
FVM Finite volume method
g Gas phase, gas
g0 The fluid exist as pure gas, particularly steam
glass Glass phase
gr Great
grav Gravitation
G Generator
Gk Magnitude, size range
Gra Grain
GT Gas turbine
h Enthalpy balance, hot (heat-dissipating surface) side of a
heat exchanger
hd Header
heat Heating
hem Hemisphere
hyd Hydraulic
hygrosc Hygroscopic
(continued)
Nomenclature xxxvii
Symbol Notation
H Hydrogen
HP High pressure
H2 Hydrogen
H2 O Water
Hyb Hybrid
i Direction index tensor/vector, number index
in Inside
inl Inlet, incoming medium, incoming flow
int Internal
intr Intrinsic
isen Isentropic
it Integral time
Inj Injection
Iphace Interphase liquid-gas
j Direction index tensor/vector, number index
k Direction index tensor/vector, number index, cold (heat-
absorbing surface) side of a heat exchanger
kin Kinetic
Ko Kolmogorov
KL Kunii and Levenspiel
l Longitudinal, liquid
lam Laminar
lay Layer
lim Limes
log Logarithmic
loss Loss
lsd Lower second diagonal
lz Running number
Lap Laplace
Lime Limestone
LS Live steam
m Middle, center
mag Magnetic
mat Material
max Maximum
mc Mechanism
md Main diagonal
mech Mechanical
melt Melted mass
(continued)
xxxviii Nomenclature
Symbol Notation
mf Minimum fluidization
mGra Micrograin
min Minimum
mineral Mineral
mol Molar
mole Molecular
mom Momentum
moul Moulded part
M Medium
Mag Magnus
Measurement Measurement
Mix Mixture
n North face
nb Neighbor
net Net
nt “Nose temperature”
N North definition point, finite number,
greater value of n, nitrogen
NO Nitrogen monoxide
N2 Nitrogen
o Top face, east face, top
occ Occurrence
out Outlet, setting out
oxi Oxidant
O Surface, east definition point
O2 Oxygen
p Proportional
par Parallel
part Part
pc Pseudo-critical
ph Physical
pol Polytropic
pr Pressure
pyr Pyrolysis
P Point, compass notation
P Particle, product
P!f Particle fluid interaction
PECE Predictor corrector method
Por Pore
(continued)
Nomenclature xxxix
Symbol Notation
Prod Product
q Transverse
ra Radius
rad Radiation
real Real
rec Recirculation
red Reduced
ref Reference
rel Relatively
req Required
riser Riser tube
rf Rolling friction
rot Rotation
rt Residence time
rupt Rupture
R Tube, pipe
RaZ Radiation zone
RC Raw coal
Rea Reaction
React Reactor
Resi Resistance
Rest Rest
RH Re heater
Ring Ring
Rm Radiometer
Ro Room
Rt Rotor
s South face, solid
sca Scattering
sd Shut down
set Set point
sg Search grid
sgc Search grid cell
single Single
sink Sink
slid Sliding
sm Small
soft Softening
sol Solidification, solid particularly hard
(continued)
xl Nomenclature
Symbol Notation
st Static, stoichiometric air
start Start, initial
stat Steady state
stH Static height
stO Stoichiometric oxygen
spec Specific
sphere Sphere
sup Supplied, fed
S South definition point, sound, sulfur
Saf Saffman
Sat Saturation
Seg Sealing
SG Steam generator
SH Reheater, super heater
Sorb Sorbent
Stg Storage
SpQS Source term for source and sinks
Spring Spring
St Steel
ST Steam turbine
Sub Substance
Sulf Sulfur, sulfating
t Top, surface
tap Tap
th Thermal
te Terminal/sinking, velocity of descent
theo Theoretical
tmp Temporarily
tr Transfer
tt Transit time
turb Turbulent
T Top, definition point, temperature
Ta Taylor
TDH Transport disengaging height
Turb Turbine
Turbv Turbine valve opening
u Bottom side, below
unbal Unbalanced
uncon Unconsumed
(continued)
Nomenclature xli
Symbol Notation
up Upward
usd Upper second diagonal
U Subcooled
v Term for the unbalance in the stress tensor
vf Velocity of formation
virt Virtual
vol Volumetric
Van Van der Waals
VM Volatile matter
Vo Volume
VV Void volume
w West surface
waf Water- and ash-free
wei Weighted
W West definition point
Wa Wall
x; y; z Direction in the rectangular, Cartesian coordinate system,
component of a vector in this direction
Wavelength
The general, specific variable
˝G Domain
@˝G Boundary, surface area in 3D
1 Infinite
0 Initial condition, initial state, based on the superficial con-
ditions
1ph Single phase
2ph Two phase
1; 2; 3 or Direction x; y; z, respectively, x1 ; x2 ; x3 in rectangular coor-
i; j; k dinates
Nondimensional
Superscripts
Symbol Notation
Average value, integral average value
Approximate value, quantity of the fine structures
Approximate value after the first corrector step of the PISO
method
(continued)
xlii Nomenclature
Symbol Notation
Approximate value after the second corrector step of the PISO
method
0
Correction value, fluctuation or deviation of a time averaged
quantity, boiling water, derivation
00
Saturated vapor, second derivation
O Pseudo-value, first correction value of the PISO method
OO Second correction value of the PISO method
!
Vector
Time derivation of a variable
Q Double step size
a General exponent
b General exponent
C Convective
D Diffusive
j jth step in the predictor corrector method
KV Control volume
m Number of steps taken into account in the predictor corrector
method
n General exponent, order of reaction, normal direction
r Rolling friction
rel Relatively
res Resulting
T
Transpose
t Tangential direction
0 Previous time step, condition in the surrounding fluid, actual
step in the predictor corrector method
.0/ Prior of a colliding with a particle
C In positive direction until the boundary
In negative direction until the boundary
Iteration step
Dimensionless Numbers
Symbol Notation
Ar D .%P %F /dP3 g/(%F 2 / Archimedes number
Bi D ˛l/ Biot number
Ec D w2 =cp jT f TWa j Eckert number
Fo D a /l2 Fourier number
(continued)
Nomenclature xliii
Symbol Notation
Fr D w2 /gl Froude number
Kn D l=lchar Knudsen number
Ma D w/wS Mach number
Nu D ˛l/ Nusselt number
Pe D wl/a Péclet number
Ph D cpf .#Sat #Wa //r Phase change number
Pr D cp / Prandtl number
Re D wl/ Reynolds number
S D fda /w Strouhal number
Sc D /Dbin Schmidt number
Sh D ˇSub l/ Sherwood number
Stk D char =P;relax Stokes number
We D w2 %d/ Weber number
D cp /cv Isentropic exponent of a gas
Mathematical Operator
Symbol Notation
Cov./ Covariance
Var./ Variance
Difference
ıL Total particularly complete differen-
tial
= Imaginary part
Lfg Laplace operator
L1 fg Back-transformation
_ Logical OR
^ Logical AND
† Sum
… Product
@wx @wy @wz
divwE D C C Divergence of a vector is a scalar
@x @y @z
@# @# @#
grad# D ex C ey C ez Gradient of a scalar is a vector
@x @y @z
@2 @2 @2
D 2 C 2 C 2 Laplace operator “delta”
@x @y @z
@ @ @
rD ex C ey C ez Hamilton operator “nabla”
@x @y @z
Chapter 1
Introduction
Because it is not worthy for an excellent man to spend valuable hours as a slave in the cellar
of simple calculations. These tasks could be passed on without concern if we had machines.
Gottfried Wilhelm Leibniz, 1646–1716
“Multiply the square of the cylinder diameter in inches by the piston speed in feet
per minute. Divide the product by 500. The quotient is the required boiler area
in square feet that comes into contact with fire” (Schäff 1982). How easy “boiler
calculation” was in James Watt’s time (1736–1819)! However, costly subsequent
changes to heating surfaces and furnaces were commonplace until the second half
of the last century.
Significant improvements were brought about by a book (Nuber 1967) published
for the first time in 1921—“Wärmetechnische Berechnung der Feuerungs- und
Dampfkesselanlagen” (Thermal calculation of furnace and boiler systems)—
of which many revised editions were later published. Then there were of
course the manuals published by WKV—Wasserrohrkesselverband Düsseldorf
(Watertube Boilers Association of Dusseldorf)—and the later FDBR Buch—
Fachverband Dampferzeuger-, Behälter- und Rohrleitungsbau (Association of
Steam Boiler, Pressure Vessel, and Piping Manufacturers). All of these manuals
contained precise calculation procedures, but they were not generally accessible.
The latter was published in part by Schuhmacher and Waldman (1972). Basic
calculation methods were also published by, e.g., Ledinegg (1952), Fryling (1966),
Doležal (1972), and Singer (1981) and in more recent years by Brandt (1985),
Brandt (1995), Brandt (1999a), and Brandt (1999b).
Marquardt (1999) distinguishes between declarative representations of the mod-
els (symbolic, mathematical formulas, which generally portray the arguably nec-
essary preliminary steps for the models, including those for the calculation and
Direct
problem
Analysis
Simulation
Given Calculated
Fig. 1.1 Direct and inverse problem; analysis and synthesis adapted from (Marquardt 1999)
1.1 Design and Simulation 3
efficiency, etc., and the program should provide the most inexpensive design of a
suitable steam-generating unit.
In the 1980s and 1990s of the last century, programs were developed that
calculated the inverse process, i.e., the actual design based on practical experiences.
These experiences were set down in diagrams, for example, or in equations of
cross-sectional and volumetric loads of boiler combustion chambers, maximum per-
missible velocities, etc. (e.g., Wang (1990)). Optimization programs also emerged
for the first time during this period (Leithner et al. 1996b; Löhr et al. 1996). Inverse
problems can usually only be solved iteratively. Optimization processes can also be
performed exergo-economically (Bejan et al. 1996).
In the 1960s of the last century, programs were already being developed for the
steady-state calculation of entire power plant cycles and then continually improved;
and in the 1980s and 1990s of the last century, these programs were used to
optimize power plant cycles. The thesis of Stamatelopoulos (1995) on the steady-
state calculation and optimization of power plant cycles contains an overview of this
work (see also Löhr et al. (1996), Löhr et al. (1998)). In Giglmayr et al. (2001) these
steady-state cycle calculation programs such as EBSILON and Gate Cycle (et alia)
are compared in great detail. The program APROS has since been added to the list.
Parallel to the development of steady-state calculations of steam generators and
power plants, simulation programs were used for transient processes such as load
changes and ultimately also for startup and shutdown procedures and malfunctions;
initially for individual components, then finally developed for steam generators and
power plants. Since 1977, for instance, they have been used for nuclear power plant
simulators and for simulators of conventional power plants in the VGB Power Plant
School since 1986.
Already in 1976 the VDI/VDE—Gesellschaft Meß- und Regelungstechnik
(GMR) (German Society for Mechanical/Electrical Engineers—Society for Measur-
ing and Control Technique) published a catalogue of process models—mathematical
models for the simulation of the stationary and dynamic behavior of technical
processes (VDI/VDE 1976) including models for steam generators, steam and
gas turbines, jet engines, electric motors, tank levels and also continuous casting
processes and rolling mills.
Besides the work of (Profos 1944) mentioned above and the works of (Läubli
and Acklin 1960), (Läubli et al. 1984), reference can be made to the publications
of (Doležal 1954), (Doležal 1958), (Doležal 1961), (Doležal 1962), (Doležal 1972),
(Doležal 1973), (Doležal 1979) and to the dissertations which contain an overview
of relevant publications, in particular: (Rohse 1995), (Kammer 1977), (Rettemeier
1982), (Grosse-Dunker 1987), (Heitmüller 1987), (Hönig 1980), (Löhr 1999),
(Döring 1995), (Leithner et al. 1996a), (Leithner 1974), (Ufert 1996), (Leithner and
Linzer 1975), (Ngoma 2001), (Wippel 2001), and (Leithner 1980b).
In the 1970s of the last century, the first programs for three-dimensional combus-
tion chamber simulation emerged (Löhner 1971; Richter 1978). The combustion
chamber simulation program FLOREAN was developed in the InES (Institute
of Energy and Process Systems Engineering; former Institute for Heat and Fuel
Technologies) of the Technical University of Braunschweig (Vockrodt 1994; Müller
4 1 Introduction
1992; Schulz 1994; Müller 1994; Müller and Heitmüller 1997; Schiller 1999;
Fischer 1999; Vonderbank 1994; Päuker et al. 2000), and programs like this also
exist at the Universities of Bochum and Stuttgart. There are also commercial
CFD programs which enable such simulations, e.g., ANSYS FLUENT, ANSYS
CFX, etc. The program package ESTOS (Epple and Stöhle 2005d) was created at
the TU Darmstadt; it simulates furnaces and can be combined with commercial
CFD software packages like ANSYS FLUENT, ANSYS CFX, etc. In this case
the commercial program package is only used as a platform to enable the self-
programmed and validated furnace model to be used via an open programming
interface (User Defined Function, UDF). The latest development at the InES deals
with mineral transformation in combustion chambers and the prediction of slagging
(Bozic et al. 2000; Božić 2002; Hoppe 2005; Magda 2012; Strelow 2013).
CAD was also used in the 1970s, first for individual components, then for the
entire steam generator (Leithner 1976) and eventually a complete power plant
(Gajewski et al. 1999); today it is being further developed by “parametric design.”
In retrospect—and as was to be expected—the development that has been
mainly determined by the turbulent rise of computer performance (coupled with
a simultaneous drop in PC prices) has not exactly run a straight course, nor have
the various elements involved been aligned with one another. One example of this
is the separate—and still-prevalent—development of the steam generator, turbine,
and cycle calculation programs. The consequence of these separate calculations
was that the steam generator, steam turbine, preheater and cooling tower, etc.,
were not matched to one another, something that was only resolved in “boiler
turbine-matching conferences” after the supplier had been awarded the contract, or
was only noticed during operation due to a superfluous feedwater-preheater stage,
for instance. Such plants are of course far from being optimal as regards design
and operation. Even today, steady-state and transient programs and evaluation
or validation programs for steam generators are completely independent of one
another, although they are based on the same balance, transport and conversion
equations for mass, substances, energy, and momentum. Other relationships for
heat transfer, pressure drops, physical characteristics, etc., are often used, creating
unavoidable differences in the results (see Fig. 1.2).
One particular focus of this book is therefore to convey these relationships to
the reader. According to Einstein, a model should be as simple as possible but as
complex as it needs to be. And modern PCs (and certainly not the larger computers)
no longer force us to seek simpler solutions due to limited memory and long
computing times.
To avoid being “nailed down” from the outset by having to specify which
variables have to resolve the system of equations, we recommend the establishment
of an implicit system of equations, in which certain variables are specified and
the rest can be calculated. Before starting the calculation, it is important to check
whether or not the system of equations can be solved and if it is well posed
(Apascaritei 2008). Object-oriented programming techniques such as XML and
C++ should also be used, together with a graphical user interface to facilitate the
operation (Witkowski 2006; Hauschke 2014).
1.2 Integration into Surrounding Systems and Life Cycle Modeling 5
Parameter and
Required variables: Required variables:
temperatures, pressures,
configuration
Part load Design Heating surfaces for given
etc. for given heating optimization
steady-state steady-state pressures, temperatures,
surfaces and given fuel in accordance steamflow, etc.
flow with cost criteria
System of equations
Balance equations for mass,
substances, momentum and energy
Transport equations
Material properties
Fig. 1.2 Use of the basic system of equations for analysis and synthesis
Feedwater pump
Furnace
Vertical integration Heating surfaces
Increasing level of detail
Air blower
Tubes Preheater
Header Combustion chamber
Connecting pipes Fuel supply (mills)
3D-simulation
Horizontal integration
Linking of the models of the plant
components for the plant model
Incorporated in the models: constructive data (geometry)
thermal and flow-technical data
materials/strength
physical properties
To test simulation models, comparisons with analytical solutions and also (usually
unavoidable) with physical models are required, initially at least. The easiest way
of course is an experiment with a 1:1 model—because there can be absolutely no
doubt about the transferability. However, in some circumstances, certain operating
conditions cannot be created without a huge effort; explosions and crashes, etc., can
lead to the destruction of the model and increase the already high costs of the 1:1
model (in the automotive industry, however, these experiments are still being carried
out, running parallel to simulations). In large installations such as power plants and
chemical plants, this is not conceivable for cost reasons, so the smallest possible
models of individual critical components are used.
However, the transferability of the results must be ensured and to achieve this,
geometrical and physical similarity is required. This is guaranteed if the complete
set of dimensionless numbers that describe the processes in the model and in the
main versions match. In addition the influencing variables may not change, e.g., the
influence of gravity may not be negligibly slight while the Coulomb forces gain
considerable influence.
The Buckingham -theorem applies:
Each homogeneous function in the dimensions can be represented through a
function of a complete (n -r ) system of linearly independent, dimensionless
numbers. n D the number of influencing variables, r D the rank of the
dimensional matrix of influencing variables, in general the number of existing basic
dimensions.
If the n -r dimensionless ratios of the model and the main design are the same
and the measured values of the model can be transferred to the main design of the
model as a result, only r scales can be selected as required. This degree of freedom
seems to be unusually generous, but it is often not the case, because we naturally
wish to specify the length scale—and in addition, the other model scales, e.g., the
ratio of the velocities in the model and the main design should be limited or some
scales should be 1, e.g. if we wish to select the same fluid at the same pressure and
at the same temperature. So it is often necessary to use appropriate model fluids that
of course should preferably be non-toxic, inexpensive, etc.
One earlier, frequently used option was to utilize analog models, because, for
example, the measurement possibilities in analog models were simpler. This analogy
is based on the fact that different technical/physical processes—although described
by different physical variables—still obey the same equations. Table 1.1 gives
8
Fig. 1.4 Procedural approach to a furnace simulation—geometry (left), numerical grid (center),
and results using the example of the temperature distribution (right) (Epple and Krohmer 2005c)
grid), via which mass, substances, momentum, energy, and all other transport
quantities are balanced. Discretization procedures with varying degrees of accuracy
may be used to calculate the flows at the boundary surfaces of the control volumes.
A first order upwind method is often used here—this method is credited with a
low level of computational complexity and a high level of numerical stability, but
it is, however, prone to numerical diffusion. More accuracy can be achieved with a
higher-order discretization (e.g., 2nd Order Upwind, QUICK, MLU) (Noll 1993).
Since industrial flows are usually of turbulent nature, turbulent fluctuations
must be addressed in the simulation. This is usually done by time-averaging the
variables with the “Reynolds-Averaged-Navier-Stokes” (RANS) equations. Various
turbulence models can be used to close these equations. Due to its reliable numerical
stability, a k " model (Jones et al. 1972) is often used, in which two additional
transport equations are solved. This model is based on isotropic turbulence and
provides sufficiently accurate results for many applications. For strongly rotating
flows (e.g., swirl burners), a Reynolds stress model (Launder and Morse 1978) with
seven additional equations often leads to a more accurate solution. Another way to
address turbulence is the “Large Eddy Simulation” (LES), in which the larger scales
of the turbulence are calculated directly—only the smallest scales are modeled. To
achieve this, however, a very fine grid resolution and a transient calculation are
required and this considerably increases the computational effort involved. This is
why LES is almost exclusively used for the calculation of laboratory flames.
Multiphase flows, such as those used in coal burning, can be calculated using
different approaches. In the Euler–Euler analysis (Epple 1993), the particle phase
is balanced as a concentration using a transport equation. This assumption is
valid for relatively small concentrations of solids, such as those that occur in a
1.5 Development of CFD to Simulate Reacting Flows in Furnaces 13
coal furnace. The multiphase Eulerian analysis, however, can also be used for
relatively dense flows, such as those found in cyclones. The computational effort
increases significantly, however, since a momentum balance must be solved for
each particle size class and the corresponding coupling terms have to be calculated.
The Euler–Lagrange analysis pursues a large number of representative particles
through the computation space, with the result that momentum, mass, and energy
balances are solved for each particle. To achieve a high degree of statistical
accuracy, a great number of particles is required—and this can increase the level
of computational complexity compared to other proceedings. Single-phase analysis
is usually sufficiently accurate for the simulation of pulverized coal combustion
(Epple et al. 2005a; Fischer 1999). The process of combustion is composed of
a great number (thousands) of elementary reactions. Around 19 reactions are
required even for the relatively simple chemistry of hydrogen combustion; for
methane combustion, hundreds of reactions are necessary and the numbers are in
the thousands for liquid fuels like diesel and kerosene. Dealing with the detailed
kinetics is possible in principle, but it is very expensive from a computational
standpoint. This is why global reaction models are mainly used for the calculation of
technical furnaces—only the main substances (without radicals) are balanced. Here
we must mainly distinguish between homogeneous (gas phase) and heterogeneous
(multiphase) reactions.
The heterogeneous combustion of coal is divided into two global steps. During
pyrolysis, the volatile matter is released. The reaction rate is usually calculated by
means of a simple Arrhenius law. In contrast, char burn-out is a surface reaction,
the reaction rate of which is limited by three factors: diffusion of the oxidants and
products through the grain boundary layer, diffusion into the pores of the char,
and the chemical reaction on the surface. Homogeneous reactions occur during
the combustion of volatiles. Typical global reactions here are the reaction of a
hydrocarbon (e.g., methane) with O2 to CO and the oxidation of CO to CO2 . A
four-step reaction model of coal combustion (Epple 1993) is shown in Fig. 1.5.
Ash Ash
Energy Char
Ash
Raw coal O2
CO CO2
Energy CXH Y
H 22O
Volatiles
Fig. 1.5 4-step reaction model of pulverized coal combustion (Epple 1993)
14 1 Introduction
Before we go into the mathematical description of the balance equations for the
conservation of mass, energy, and momentum in more detail, a brief explanation
concerning three types of time derivatives is given by way of introduction. A simple
example is used, namely the problem of determining the concentration of fish in
a river (Bird et al. 2002). Clear descriptions of balance equations can be found in
Müller (2001), Bird et al. (2002), Baehr and Stephan (2008), and in many others.
In order to describe the fish concentration Y in a river, we must first consider the
dependence of the concentration of fish on space and time. The concentration of
fish will change both time-wise and location-wise because of the movement of
individual fish in the river, i.e., the concentration of fish Y is a function of the
location (x; y; z) and the time ().
Depending on the observer’s location for determining the concentration of fish in
the river, the time derivatives result in the following relationships:
B. Epple
Department of Energy Systems and Technology, Technical University of Darmstadt,
Otto-Berndt-Str. 2, D-64287, Darmstadt, Germany
R. Leithner • H. Müller
Institute of Energy and Process Systems Engineering, Technical University of Braunschweig,
Franz-Liszt-Str. 35, D-38106, Braunschweig, Germany
K. Ponweiser • H. Walter () • A. Werner
Institute for Energy Systems and Thermodynamics, Vienna University of Technology,
Getreidemarkt 9, A-1060, Vienna, Austria
e-mail: heimo.walter@tuwien.ac.at
© Springer-Verlag Wien 2017 17
H. Walter, B. Epple (eds.), Numerical Simulation of Power Plants
and Firing Systems, DOI 10.1007/978-3-7091-4855-6_2
18 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Y
t = f(t ,x,y,z)
x,y,z=const.
Fig. 2.1 Partial derivative, stationary observer, and Euler approach, [adapted by Jaana Fischer in
Bird et al. (2002)]
@Y
The Partial Time Derivative @
We are standing on a bridge. We note how the concentration Y of the fish below us
changes with time (see Fig. 2.1). In other words, we observe how the concentration
varies with time at a fixed location in space. With @Y @ (taking time () into
consideration) we therefore mean the partial proportion of Y with a constantly
maintained x; y; z.
dY
The Total Time Derivative d
Let’s now go up and down the river in a motor boat. If we show the change in the
fish concentration with respect to time, we must also express the movement of the
boat for the noted number of fish. The total time derivative is given by:
dY @Y @Y dx @Y dy @Y dz
D C C C (2.1)
d @ @x d @y d @z d
where ; ;
dx dy dz
d d d
are the velocity components of the boat (Fig. 2.2).
DY
The Substantial Time Derivative D
Let’s suppose that we are sitting in a boat, floating with the current, and counting
fish. The observer is moving at the same speed as the current. If we now show
2.1 Balance Equations 19
dY Y Y x Y y Y z
dt = t + x t + y t + z t
with the velocity components
of the observer x , y , z
t t t
Fig. 2.2 Total differential, [adapted by Jaana Fischer in Bird et al. (2002)]
the change in the fish concentration with respect to time, the number of fish noted
depends on the local current velocity. This derivation is a special type of total time
derivative; it is termed substantial derivative or derivative following the motion and
is expressed as follows:
DY @Y @Y @Y @Y
D C wx C wy C wz (2.2)
D @ @x @y @z
Here wx ; wy ; wz are the components of the local flow velocity w. E The reader
should be able to fully identify the physical meanings of these three deriva-
tives. Please remember that @Y @
is the derivative at a fixed point in space (Euler
DY
approach). D is the derivative calculated by an observer who drifts with the current
(Lagrangian approach). See also Sect. 3.1, coordinate systems (Fig. 2.3).
All balance equations are based on the principle of conservation. Four properties
generally apply to balance variables: A balance variable is
• storable in limited volume,
• transportable by flow (convective) and/or
• by molecular balance mechanisms (conductive/diffusive),
• convertible into a different balance variable within a volume and/or on its surface.
20 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Fig. 2.3 Co-moving observer, Lagrangian approach [adapted by Jaana Fischer in Bird et al.
(2002)]
J)
y)
J y
J x)
Jx x)
z
J y)
J z)
y
x
x (x+ x)
(element). We will now look at the individual terms of the conservation principle
in more detail, based on a Cartesian differential control volume. This volume (see
Fig. 2.4) is stationary, location-anchored in any preferred flow—a free cross-flow
exists through all six surfaces. The quantity of the volume does not change with
time. This is known as the Eulerian approach.
In the conservation equations, the following are balanced:
mass
momentum
energy and
material (species).
Rate of Accumulation
The temporal change of a specific (per unit mass) variable in a volume element
dV or in Cartesian coordinates dxdydz (see Fig. 2.4) is
@%
dxdydz (2.3)
@
22 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Convection Term
P
The inflow and outflow of the variable with the mass flow JE D %wE through the
surfaces of the volume element dxdydz (East, West, North, South, Top, and Bottom)
consists of three terms, each of which is made up of two opposite lateral walls. The
mass flow
passes through the western lateral surface and subsequently through the eastern
lateral surface as follows:
@JPx
JPx C dx dydz (2.5)
@x
The net flow through the lateral walls parallel to the yz plane or parallel to the x
axis (which would normally be on this plane) is therefore
@JPx
dxdydz (2.6)
@x
If we observe the mass flows parallel to the y and z axis, i.e., through the planes
parallel to the xz plane or xy plane, we obtain the following for the entire net mass
flow through the surface:
P
@J x @JPy @JPz E
C C .dxdydz/ D div PJ.dxdydz/ (2.7)
@x @y @z
The net flow of the variable with the mass flow is therefore
P
@J x @JPy @JPz E .dxdydz/
C C .dxdydz/ D div PJ (2.8)
@x @y @z
Diffusive Term
If the diffusive flow PJEdiff of the variable is proportional to the negative gradient
of , the following applies:
and the net flow of the variable over the surface of the volume element dxdydz as
a result of diffusive processes (heat conduction, diffusion, friction, etc.) is
P
divJEdiff .dxdydz/ D div. grad / .dxdydz/ (2.10)
In a homogenous medium is the same size and constant in all directions. The
following then applies for the net flow of the variable over the surface of the
volume element dxdydz as a result of diffusive processes:
D const. (2.11)
div grad .dxdydz/ D .div grad/ .dxdydz/
2
@ @2 @2
D C C .dxdydz/
@x2 @y2 @z2
D .dxdydz/ (2.12)
The source or sink term of the variable is in general an algebraic term; it should
be referred to as S when it is related to the space, and includes all the terms that
do not contain a first time derivative or a first or second location derivative of the
variable .
S .dxdydz/ (2.13)
If the conversions take place on a surface of the volume dxdydz, the result is a
maximum of six corresponding terms such as Sx .dydz/ and Sx C dx .dydz/.
@% PE
D divJ C div grad C S (2.14)
@
or in tensor notation
@% @%wi @ @
D C C S (2.15)
@ @xi @xi @xi
24 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Table 2.1 Meaning of the transport variable , of the exchange coefficient and the source/sink
term S in the different balance equations
Exchange
Balance equation Variable coefficient Source/Sink S
Mass 1 0 0
Momentum wi Smom
Simplified thermal energy h =Pr Sh D Srad C Schem
(pressure and friction
disregarded)
Material components (e.g., O2 , Yk D SComp
CO2 , H2O , CO, as-mined coal,
Cfix , and Cx Hy )
Hazardous substances HCN,
NH3 , NO
(if i appears twice in a term, the “Einstein summation convention” applies, i.e., it is
totalized over all spatial directions i D 1; 2; 3 or x; y, and z).
Table 2.1 shows the meaning of the transport variable , of the exchange
coefficient , and of the source/sink term S in the various balance equations.
The balance equations are (in general) partial non-linear differential equations of
the second order.
A differential equation is partial when at least two independently (variable)
variables—such as time and at least one location coordinate—are included in
the equation. If only temporal changes exist because all variables in the volume
(element) are only time-dependent and not location-dependent (or have been
discretized with respect to the location), the equations in question are ordinary
differential equations (local discretization D “concentrated parameters” and non-
discretization D “distributed parameters”).
Differential equations are linear when the dependent variables and their deriva-
tives are only to the power of 1 and no products of dependent variables or their
derivatives are included in the differential equation. The superposition principle
applies to linear differential equations, i.e., partial solutions can be added to
complete solutions. The solution for a linear change of the initial condition can,
for example, thus be calculated from a small step change of an initial condition and
the associated solution by adding up or integrating the (time-shifted) solution(s) for
a small step change.
The order of the differential equation depends on the highest existing order of a
derivation.
In the case of partial differential equations of the second order, such as balance
equations, we differentiate between the
• hyperbolic
• parabolic or
• elliptical
2.1 Balance Equations 25
forms; the nature and form of the differential equation affect the solution options and
solution forms or their stability, etc. (see, for example, van Kan and Segal (1995)).
Since individual procedures such as sources or sinks, diffusion or convection are
either absent or negligible, or only the steady-state condition is to be considered,
simple examples can be derived from this general form of the balance equation.
There are also analogous equations with different physical variables (see Table 1.1).
The application of the law of conservation of mass to a fixed control volume (see
Fig. 2.4) leads to
" #
Nett flow through transport
D y z .%wx /jx .%wx /jxC x
with the fluid flow
(2.16)
C x z .%wy /jy .%wy /jyC y
C x y .%wz /jz .%wz /jzC z
Since no gradients occur (with the mass as a balance variable), the transport
stream by conduction (line) is 0.
Mass conversions into energy by nuclear physics processes are not taken into
account. This means that the source/sink term is also 0.
The storage element in the mass balance describes the temporal variation in
density in the control volume and is the result of the “net flow through convection.”
h i @%
Storage D x y z (2.17)
@
Division of the equations (2.16) and (2.17) by the control volume and the
formation of the boundary value x y z ! 0 leads to the continuity equation
@% @%wx @%wy @%wz
D C C (2.18)
@ @x @y @z
@% @%wi
D (2.19)
@ @xi
@%
D div.%w/
E (2.20)
@
26 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
These equations are obtained from the general form of the balance equation
(Gl. (2.14) or Eq. (2.15)) for D 1, D 0, and S D 0. Flows with Mach numbers
Ma 0:3 can be regarded as incompressible and density changes due to changes
in pressure can be disregarded. Changes in density due to temperature changes can
nevertheless be taken into account in the equation of continuity. This also means
that certain flow phenomena such as pressure waves (sound) or pressure surges will
be reproduced incorrectly or not at all if such simplified equations are used for flows
with higher mach numbers.
The momentum balance is based on Newton’s second law, and is ultimately the
balance of mechanical energy.
The change in momentum of the fluid is equal to the difference between momentum inflow
and outflow and the sum of all acting external forces.
The mass forces are those upon which gravity acts externally (centrifugal or
electrical/magnetic fields, etc., are not taken into account). The surface forces
(pressure and friction forces) depend on the state of deformation (moving state)
of the fluid. The sum of all surface forces specifies a state of stress. The relationship
between the state of deformation and the state of stress in fluids is described by the
Stokes’ friction law (based on Newton’s law). According to this law, the forces that
counteract deformation are proportional to the rate of deformation in fluids.
In inviscid flows, only pressure forces act in a normal physical manner on the
volume element at the surface. In addition to the normal forces, tangential forces
also occur in viscous flows.
For a volume element the state of stress resulting from the normal and tangential
forces generally applies:
0 1
xx xy xz
ij D @ yx yy yz A (2.21)
zx zy zz
The double index in the stress tensor ij has the following meaning (see Fig. 2.5):
zz
-p +
zy
zx yy
yz
+
-p
yx xy
xz
-p + xx
z
y
x
x
The normal stresses are therefore on the diagonal of the tensor. The moment
equilibrium about the axis of the volume element gives us:
The stress tensor contains six different stress components and is symmetrical in
relation to the main diagonal.
The stress tensor is usually broken down into two parts:
The first portion is characterized by the state of the fluid, the second by the fluid’s
change of state. The stress tensor contains an equilibrium term .ij /e and a non-
equilibrium term .ij /v , which is determined by the frictional forces.
The arithmetic mean of the normal stresses .ii /e is the fluid pressure
1
pD ıij .ij /e (2.24)
3
and describes the state of the fluid.
28 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Division of the equations (2.29), (2.30), (2.31), and (2.32) by the control volume
and the formation of the boundary value x y z ! 0 leads to the conservation of
momentum in the x-direction.
@%wx @%wx wx @%wx wy @%wx wz
D C C
@ @x @y @z
(2.33)
@p @xx @xy @xz
C C C C % gx
@x @x @y @z
The following is the result if the components of the stresses are expressed through
the corresponding velocity gradients:
@%wx @%wx wx @%wx wy @%wx wz @p
D C C
@ @x @y @z @x
" #
@ @wx 2 @wx @wy @wz
C 2 C C
@x @x 3 @x @y @z
(2.34)
" # " #
@ @wx @wy @ @wx @wz
C C C C
@y @y @x @z @z @x
C % gx
The application of the first law of thermodynamics to a control volume leads to the
total energy balance of an open system. In words, the following applies for a volume
30 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
With the sum of internal energy %u and kinetic energy %w2 =2 as storable
variables, the following is the total energy balance of an open system:
" #
Temporal change in @ 1 2
D % w Cu (2.37)
the stored energy @ 2
2 3
Net transport of the inner " #
6 energy and of the kinetic energy 7
6 7 D @ % 1 w2 C u wi (2.38)
4 through convection over the 5 @xi 2
surface per time unit
2 3
Net transport
6 through heat 7 @qi
6 7
4 conduction over the 5 D @xi (2.39)
surface per time unit
2 3
Net work through forces of
4 pressure on the surface 5 D @pwi (2.40)
@xi
per time unit
2 3
Net work through
@ w
4 frictional forces on the 5 D ij i (2.41)
@xi
surface per time unit
2.1 Balance Equations 31
2 3
Net work through volume
4 forces in the volume 5 D % wi gi (2.42)
per time unit
Source/Sink term D S (2.43)
With the Fourier approach to heat conduction, the transport stream is expressed
as a function of the local temperature gradient:
@#
qi D (2.44)
@xi
If we form the scalar product of the local velocity wE with the momentum balance
from Eq. (2.35), we obtain the following:
@% 1 2 @ 1 2 @p @ij
%w D %w wi wi C wi C % wi gi (2.46)
@ 2 @xi 2 @xi @xi
The equation describes the temporal change of the mechanical energy in a fixed-
location volume element through which a flow occurs. The individual terms of the
equation mean:
Temporal change of the stored @ 1 2
D %w (2.47)
mechanical energy @ 2
2 3
Transport of the
6 mechanical energy 7 @ 1 2
6 7
4 through convection 5 D @xi 2
%w wi (2.48)
per time unit
32 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
2 3
Net work carried out
6 through the force on 7 @p
6 7
4 the volume element 5 D wi @xi
(2.49)
per time unit
2 3
Net work carried out
6 through the pressure on 7 @ij
6 7 D wi (2.50)
4 the volume element 5 @xi
per time unit
2 3
Net work carried out
6 through the gravity on 7
6 7
4 the volume element 5 D % wi gi (2.51)
per time unit
The network carried out through the pressure and the friction forces can be split
into two individual terms.
@p @pwi @wi
wi D p (2.52)
@xi @xi @xi
„ƒ‚… „ƒ‚…
I II
The term I in equations (2.52) and (2.53) describes work per unit of time carried
out through the pressure or frictional forces.
The term II in Eq. (2.52) describes the reversible transformation of the work of
the pressure in internal energy per time unit, while the term II in Eq. (2.53) describes
the irreversible transformation of the work of the frictional forces in internal energy
per time unit.
In tensor notation the balance equation of the mechanical energy is therefore:
@ 1 2 @ 1 2 @pwi @wi
%w D %w Cp
@ 2 @x 2 @xi @xi
(2.54)
@wi ij @wi
C ij C % wi gi
@xi @xi
In order to arrive at the balance equation of the thermal energy, the balance equation
of mechanical energy in Eq. (2.45) must be subtracted from the overall energy
2.1 Balance Equations 33
Inserting the relationship between the spec. internal energy u and the spec.
enthalpy h
p
hDuC (2.56)
%
respectively
@%h @%wi h @ @#
D C
@ @xi @xi @xi
(2.58)
@wi @p @p
ij C C wi C Sh
@xi @ @xi
With the many flow problems, the work through the pressure and the friction in
Eq. (2.58) can be disregarded.
With the Prandtl number
cp
Pr D (2.59)
the following applies to the flow of heat by conduction:
@# @cp # @h
qPi D D D (2.60)
@xi Pr @xi Pr @xi
In the simulation of technical flows in the Mach number range 0:3 and at pressures
of around one bar, only the Fickian material flow density is significant for the
diffusive transport of a species. The balance equation for the individual material
components (species) is composed of the following terms:
Temporal change of @% Yk
D (2.62)
the stored material @
2 3
Net transport
4 through convection 5 D @%wi Yk (2.63)
@xi
per time unit
2 3
Net transport
4 through diffusion 5 D @ D @Yk (2.64)
@xi @xi
per time unit
Sources + sinks D Sk (2.65)
with the diffusion coefficient D and the counting index for the single species k. The
result of the mass balance for a species is then:
@%Yk @%wi Yk @ @Yk
D C k C Sk (2.66)
@ @xi @xi @xi
For more information on this subject, please refer to the work of Müller (1992).
In this section we will show how balance equations change and are simplified when
special cases are considered.
It is characteristic of all steady-state states that every derivative vanishes with time
(rate of accumulation).
2.1 Balance Equations 35
The convective term should also disappear—this applies, e.g., to steady-state heat
conduction or diffusion in a solid or in a quiescent fluid. There are also analogous
equations for potential problems in theoretical hydrodynamics, theoretical electric-
ity (electrical conduction is analogous to heat conduction or mass diffusion), and
equilibrium states in mechanics. If we assume that the exchange coefficient is
constant, the general balance equation is simplified to the
S
D (2.67)
@2 @2 @2 S
2
C 2
C 2
D (2.68)
@x @y @z
D cp #; S [W/m3 ; D
cp
The homogeneous form of the Poisson equation arises when there are no sources
or sinks.
D 0 (2.69)
Convection–Diffusion Equation
A fluid with a constant density % flows with a velocity wE (mass balance: from
Eq. (2.14) with D 1, S D 0, and % D constant W r%wE D div %wE D 0).
The concentration c of a material transported by convection and diffusion
changes temporally and location-wise. There are no sources and sinks of the
substance in the flow and the exchange coefficient D constant. The general
balance equation is simplified with D c as follows:
@c
D wE rc C c (2.70)
@ %
@c
C wE rc D 0 (2.71)
@
@c
D c (2.72)
@ %
or, with D cp # D cp
D constant, % D constant, cp D constant, and a D % cp
into the
@#
D a # (2.73)
@
If the temperature # is normalized with a constant value #const and the coordinates
with a constant length xconst
#
# D (2.74)
#const
x y z
x D ; y D ; z D (2.75)
xconst xconst xconst
2.2 Turbulence Models 37
@# @2 # @2 # @2 #
D 2
C 2
C (2.76)
@ @x @y @z2
The study and description of turbulent flow processes is still one of the major
challenges—the vast majority of technically relevant flows can be described as
turbulent. This manifests itself in a seemingly stochastic, irregular behavior of the
flow. The magnitude of the eddy which occurs depends on the application and
can vary greatly. The spectrum ranges from flow pumps, household burners, motor
vehicle engines, gas turbine combustion chambers, and large power plant furnaces
to climate flows around the world. Compared to laminar flow, turbulent flows
have significantly increased diffusivity, viscosity, and heat conduction. However,
turbulence can be quite desirable, since it often brings an improvement in heat
transfer, more intensive mixing and combustion. Turbulent flows have three-
dimensional structures, whereas larger eddies decay into increasingly smaller units.
This means that they are always dissipative, whereby the internal energy increases at
the expense of the turbulent kinetic energy. This is also known as an energy cascade.
The structures of turbulent flows are therefore irregular and their fluctuations
are three-dimensional and always liable to swirling (eddy flow). Compared to
laminar flows, turbulent flows lead to increased exchanges of momentum, heat, and
38 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
materials, so the mixing of an injected medium with the surrounding fluid will be
intensified.
Figure 2.6 illustrates an upward jet. The initial laminar flow undergoes a
transition into a turbulent flow mode after it has been running for a time. This is
evident from its irregular structure. The run time of the laminar flow is reduced with
increasing injection velocity or Reynolds number. As shown in the right of Fig. 2.6,
the flow is already turbulent at the nozzle.
If turbulence phenomena occur in flows, they are always transient with regard
to the timing, although a steady-state flow mode over an averaged time period may
actually occur (see Fig. 2.7).
transient on average
Velocity w
w’ w
steady-state on average
Time τ
Fig. 2.7 Steady-state and transient turbulent flow
2.2 Turbulence Models 39
This refers to the mathematical description of turbulent lengths and time scales.
Turbulence models are often classified by the number of transport equations used,
so there follows a brief description of the main representatives of these classes.
Literature sources for further reading will be given in each case.
An essential basis for turbulence modeling was created in 1925 through the
publication of Prandtl’s mixing length hypothesis. This enabled the calculation of a
40 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
term to determine turbulent viscosity. Turbulent flows are characterized by the size
and intensity of their eddies. The turbulent viscosity is proportional to the gradient
of the average speed. The eddy size is characterized by the mixing length l. This
results in the following relationship:
ˇ ˇ
ˇ @w ˇ
turb % l2 ˇˇ ˇˇ (2.78)
@x
This approach may well be appropriate for the description of boundary layer
flows, but for more complex flow problems, it does not provide satisfactory results.
This class of turbulence model is widely used for industrial applications. In the two-
equation turbulence models, two separate transport equations are used to determine
the turbulence-characterizing variables. This means that the description of the
turbulence distribution can be carried out up to the usual definition of the boundary
conditions without the need for further information. In the two-equation turbulence
models, there is a wide range of available approaches (k; "; ! D "=k, etc.).
The most commonly used turbulence model, both in the class of two-equation
models and beyond, is the so-called k-" model (Jones et al. 1972).
The kinetic turbulence energy is equal to the normal stresses in Fig. 2.8 and
formally results from the Reynolds stresses by equating the two indices (i D j).
This results in:
@k @wi
%wk D % w0i w0k
@xk @xk
„ ƒ‚ …
I
" #!
@ 0 0 0 @k @w0i w0k @p0 w0k
% wi wi wk C
@xk @xk @xk @xi (2.80)
„ ƒ‚ …
II
@w0i @w0i @w0k
C
@x @xk @xi
„ k ƒ‚ …
III
Now follows the description of the three terms on the right of Eq. (2.80). The first
term of this equation represents the production term of kinetic turbulence energy.
The modeling of this term is based on the Boussinesq eddy viscosity principle.
@wi @wi @wk
I ) turb C (2.81)
@xk @xk @xi
Term II represents a diffusion term and is modeled on the gradient flow approach:
@ turb @k
II ) (2.82)
@xk k @xk
42 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Term III represents the dissipation term of the kinetic turbulence energy and is
replaced by the dissipation variable ", which is in turn determined by a separate
transport equation. This leads to the final form of the model equation for kinetic
turbulence energy k as in Eq. (2.83), whereby in the following the index j is used
instead of the index k. The laminar and turbulent portions of the viscosity are
summarized in effective viscosity eff .
@ @ @ eff @k
.% k/ C .% wi k/ D C G %" (2.83)
@ @xj @xj k @xj
The kinetic energy G production term that occurs in Eq. (2.83) and Eq. (2.84) is
given by Eq. (2.85).
@wi @wj @wi
G D turb C (2.85)
@xj @xi @xj
Analogous to the model equation for kinetic turbulent energy, the right-hand
side of the model equation for determining the dissipation (Eq. (2.84)) of kinetic
turbulence energy " consists of the terms for diffusion (I), production (II), and
dissipation (III). As in the case of the kinetic turbulence energy, the diffusion term
here is modeled by a gradient flow approach. The production and dissipation term
is multiplied by the reciprocal value of the time scale ."=k/. It is also weighted with
constants that are determined empirically. A set of constants given by Launder and
Spalding (1974) is reproduced in Table 2.2.
The “Reynolds stress models” are another group of turbulence models. This upper
group can be subdivided into “differential stress” and “algebraic stress models.” In
the case of the first model group, a transport equation is solved (in extreme cases)
for each correlation term of the velocity fluctuations and the closing conditions are
defined.
2.2 Turbulence Models 43
In Fig. 2.8, the stresses plotted on the rectangle are shown in tensor form in
Eq. (2.86).
0 1 0 1
11 12 13 w011 w012 w013
B C
ij D @ 21 22 23 A D @w021 w022 w023 A (2.86)
31 32 33 w031 w032 w033
As can be seen in Eq. (2.86), the matrix associated with the stress tensor is mirror-
symmetrical. On the basis of the moment equilibrium of a rectangular element in
Fig. 2.9, it can also be derived that the shearing stress terms 12 and 21 , 13 and 31
as well as 23 and 32 must have identical amounts. A total of six variables must
consequently be determined, as well as the 11 , 22 , and 33 normal stresses. Seven
transport equations in all have to be solved for the modeling of turbulence alone,
including a turbulent dissipation equation which must also be solved. For example,
in the Reynolds stress modeling as used by Weber et al. (1990), transport equations
are used to solve the differential terms of the normal stresses (w02 02 02
2 w3 and w3 w1 )
02
and the kinetic turbulence energy instead of the individual normal stresses—the total
number of equations to be calculated, however, does not change.
The so-called algebraic stress models were developed to reduce the complexity
of this approach. To this end, the Reynolds stresses must be determined via the
relationship in Eq. (2.87).
" !#
23 ıij G"
Gij
2 1
"
w0i w0j D k ıij C
1 G
(2.87)
3 C1 1 C C1 " 1
h i
2 1
1
3 c1 1 C1 1
G"
C D h G i2 (2.89)
1
1C C1 "
1
The terms that occur in Eq. (2.87) must be calculated as per the relationships
in Eq. (2.88) and Eq. (2.89). Since the relationships for the variables Gij and G
also contain terms which are equivalent to w0i w0i , we obtain a system of algebraic
equations that can be solved.
According to Gibson and Launder (1978) c1 and
are given with values of
1.8 and 0.6, respectively. An algebraic stress model like this was tested for a two-
dimensional isothermal case.
Another stress model in this group is the “effective viscosity hypothesis (EVH)”
by Pope (1975). Here, the calculation results matched the results obtained with the
algebraic stress model; however, the use of this model is limited to two-dimensional
cases due to the underlying simplifications as per Pope (1975).
Further reports on the current status of turbulence modeling have been published,
for example, by Sloan et al. (1986), Nallasamy (1987), Leschziner (1989), and
Launder (1991).
With more than 100000 grid points used at times, the use of a Reynolds stress
model like this for three-dimensional furnace calculations requires a great deal
of computation time. In areas further away from the furnace, discretization is so
inaccurate that the use of such a model is more or less ineffective. For the sub-
domain decomposition method, a higher turbulence model, like the algebraic stress
model (Epple and Schnell 1992a), can be used quite effectively. In the sub-domain
decomposition method, the burner-proximate zone can be discretized in extremely
fine manner with a stand-alone grid—so a stress model of a higher order can be used.
This finely discretized, burner-proximate zone grid is coupled with the surrounding
coarse grid, for which a standard k " model is used.
The use of the Large Eddy Method for industrial applications cannot yet be referred
to as state of the art—however, its very potential means that the situation is expected
to change in future and it is for this reason that we will now briefly describe this
principle.
In the modeling approach of the Large Eddy Simulation (LES), the larger vortices
(eddies) are described by a direct simulation. The modeling of the smaller eddies
takes place via a model description “Subgrid Scale” (SGS) model. The basic
assumption of such an approach is based on the fact that large eddies have a
maximum of energy and can be simulated directly. Smaller eddies have less energy
and their descriptions are based on an isotropic model with general properties,
2.2 Turbulence Models 45
thereby enabling a generally valid modeling. This procedure results in two sub-
tasks: first, filtering must take place—here a clear separation into large and small
eddy fractions is created. Then the fractions must be modeled on smaller eddies—
and this is done using an SGS, causing the system to be closed to the filtered
equations. In terms of the modeling, the problem is now limited to the modeling
of the less important part of the energy spectrum. A turbulence model is still
required; we can assume, however, that its influence will be minimal, because the
more significant eddy fractions are recorded and described in the numerical grid
system. Only small eddies are modeled with LES; and the control volumes of the
grid system can be much greater than Kolmogorov’s length scale and the time step
size much greater than in the case of “direct numerical simulation” (DNS)—so much
less computing time is required than in the DNS. With the rapid development in
the enhancement of computer hardware performance, there is a theory which states
that the next decade will see LES more widely used than RANS. This perspective
does of course have its pros and cons: the problem of the treatment of wall-adjacent
flows, for example, has not yet been solved. The small eddy dimensions which occur
there require a mesh fineness and time increment; this means that they will achieve
dimensions which approximate those which occur when the DNS is used. Existing
approaches such as anisotropic filtering or dynamic methods still do not lead to
satisfactory results. One of the solutions to the problem of the treatment of the
wall-adjacent areas is the combination of LES and RANS, the so-called separate
LES-DES (Detached Eddy Simulation) (Strelets 2000). The DES approach uses the
RANS method near walls and the LES model for the wall-remote areas, thereby
reducing the problem to the coupling of these two areas.
Turbulent reactive flows are extremely complex and an exact mathematical descrip-
tion is associated with a great deal of time and effort. This can be described using
the theory of probability. In this case, the probability density of all descriptive
variables must be calculated at each location. This requires equations for probability
density functions (PDF) to be specified—and the solution of these equations
contains statistically complete information. Methods for numerical solution have
been published by Pope (1990b) (et alia). The objective of using PDF methods
like these is the calculation of the bound probability density of all variables—
used in combination with reduced chemistry, they simulate geometrically simple
laboratory flames (Pope 1990b; Gran 1994; Nau et al. 1995; Wölfert 1997). With
these methods, however, the problem of unclosed expressions also arises (e.g.,
mix, density fluctuation)—and these must be closed by means of empirical model
assumptions. The great advantage of these methods in the simulation of combustion
processes is that the chemical reaction kinetics can be directly incorporated without
any model assumption (Pope 1990a; Warnatz et al. 1996). A description of the main
features of these PDF approaches can be found in Gerlinger (2005). PDF methods
46 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
like this have so far not been manageable because of the enormous numerical
effort involved for industrial problems. The next section therefore deals with a
widespread model approach, one which is used for the processing of practical
industrial problems.
To enable chemical reactions to occur, the reactants must be perfectly mixed at the
molecular level and the temperature has to be sufficiently high. In turbulent flows,
the progress of the reaction is therefore strongly influenced by the manner in which
the flow is mixed by the eddy structures.
One fundamental idea of the EDC (which is directly derived from the model
representation of the energy cascade) is to assume that in turbulent reactive flows, a
mixture of the reactants at the molecular level is only found in the smallest structures
of the energy cascade, where viscous forces dominate and dissipation of the energy
into heat takes place. It is known that these smallest turbulent scales are localized
in certain regions, the volume of which constitutes only a small percentage of the
fluid’s total volume. These regions are occupied by the “fine structures.” Outside of
the fine structures, no mixture at the molecular level exists—and it is also assumed
that no chemical reactions take place there.
The EDC is thus based on a subdivision of the entire space into a reaction zone
and the surrounding fluid. Reactions only take place in this fine structures reaction
zone, which therefore represents the smallest turbulence scales. The turbulent
reaction conversion is thus regarded as a serial connection of scalar dissipation and
chemical reaction.
The higher the Reynolds number, the more accurate is the assumption made for
the derivation of the cascade model, viz., that the dissipation of turbulent energy
2.2 Turbulence Models 47
into heat occurs mainly on the smallest scales. Due to the analogy, this is also a
prerequisite for the EDC. However, the existence of a high Reynolds number does
not guarantee that all the reactions outside the fine structures can be disregarded.
There is no quantifiable definition of the region of validity for this assumption to be
made.
In order to treat the reactions within the fine structures, we have to know the volume
or mass fraction of the fine structures and the mass transport between the fine
structures and the ambient fluid. Both variables are derived from the turbulence
parameters of the flow (see Magnussen (1989), Gran (1994), Ertesvag (1996)).
When used within a CFD program, the following derivations refer to Favre-averaged
quantities. The fine structures variables are designated by an asterisk.
The transfer rate Mtr (per time unit) between fine structures and ambient fluid
can be derived from the dissipation rate " of the turbulent kinetic energy with the
kinematic viscosity and the model constant CD2 D 0:50.
s r
3 "
Mtr D (2.90)
CD2
The transfer rate also determines the characteristic hold-up time within the
fine structures.
1
D (2.91)
Mtr
To quantify the proportion of fine structures in the total mass, we assume that the
fine structures are concentrated in certain regions of constant energy, viz., in the fine
structures regions
Fs .
1=4
3CD2 " 1=4
Fs D 2
(2.93)
4CD1 k2
Here the turbulent kinetic energy is described by k and the model constant CD1
has a value of 0.134. To show the connection to these known variables, this term is
48 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
1
aD (2.96)
Fs
This correction factor is integrated into the calculation of the mass fraction of the
fine structures, so
Fs is calculated from
2
Fs D
Fs (2.97)
Simple geometric considerations result in the transfer rate Mtr per unit of fluid
(and time) from the transfer rate Mtr (Eq. (2.90)) related to the fine structures
proportion and their mass fraction
Fs (See also Fig. 2.10).
1
Mtr D Mtr
Fs
(2.98)
s
The averaged mass value of a general variable is calculated (as per Eq. (2.99))
from its value in the fine structures and its value in the ambient fluid 0 —it is
referred to below as an average variable. When the EDC is used, mass fractions and
temperature are always to be taken as Favre-averaged values.
D
Fs Fs C .1
Fs
Fs / 0 (2.99)
Heat transfer q*
Reactants Products
Region of
M*tr “fine structures” M*tr
Yi*; T*;
0 0 0
Yi ; T ;
Ambient fluid
The rate of mass transfer RPtr i of a species concentration i between the ambient
fluid and the fine structures can be calculated from the transfer rate Mtr , the differ-
ence between the concentration in the surrounding fluid Yi0 , and the concentration
within the fine structures Yi (see Fig. 2.10). Here %Mix designates the local average
density of the gas mixture.
RPtr i D %Mix Mtr Yi0 Yi (2.100)
%Mix Mtr 0
RPtr i D Yi Yi (2.101)
1
Fs Fs
If we regard the fine structures locally as an ideal stirred tank reactor (PSR—
perfectly stirred reactor), which only exchanges mass and energy with the surround-
ing fluid (Fig. 2.10), every chemical reaction mechanism can be integrated into the
EDC.
The formation rates of all components are calculated from a steady-state mass
and energy balance of this fine structure reactor. The chemical reaction and the
mass transport of the stirred tank reactor can be described by the following algebraic
50 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Mtr 0 RP Wi
Yi Yi D chemi .i D 1; : : : :n/ (2.102)
1
Fs Fs i %
Mtr X n
qP
Y h Yi h i D (2.103)
1
Fs Fs i iD1 i i %
qP is the net rate of energy (per volume unit) exchanged by radiation between the
fine structures and the ambient fluid RPchem i are the chemical reaction rates, and Wi
is the molecular weight. Equations (2.102) and (2.103) are referred to below as the
PSR equation system.
With this system, the species concentrations Yi and the temperature T within
the fine structures can now be calculated from the known variables T and Yi (average
temperature and average species concentrations). Since the chemical reaction rates
are generally non-linear functions of the state variables, we obtain a non-linear,
coupled, algebraic equation system, which requires an iterative solution method.
With the species concentration Yi within the fine structures, we can now determine
the mass transfer rate of each component as per Eq. (2.101). This mass transfer
rate RPtr i corresponds to the yet undetermined chemical reaction source terms in
the species conservation equations in the turbulent flow calculation. The partial
differential equation system for describing turbulent flames is thus completely
determined.
The conditional equation of the mass transfer rate (Eq. (2.104)) shows the
influence of the different factors on the average reaction source term. The mass
transfer rate is based on the average concentration Yi —it also depends on the
turbulent mix, which itself is characterized by the rate of transfer Mtr between the
ambient fluid and the fine structures.
%Mix Mtr o
RPtr i D Yi Yi (2.104)
1
Fs Fs
The concentration Yi within the fine structures is also incorporated in the
conditional equation. Yi determines the chemical reaction rates and consequently
the reaction kinetics of the system via the PSR equation system (2.102) and (2.103).
To calculate the chemical reaction rates, we do not use the average concentrations,
but the concentrations within the fine structures.
2.2 Turbulence Models 51
Equation (2.102) thus takes the following form for the “steady-state species”:
!i Wi
0D .i W “steady-state species”/ (2.107)
%
With this procedure, all the reactions of the mechanism used to calculate
steady-state conditions can be incorporated without the need for any additional
analytical mathematical work. It can therefore be easily applied to different reaction
mechanisms—and components and reactions can also be simply added to the system
or removed from it.
From Eq. (2.107) we can immediately see that the “steady-state species” is not
dependent on the reactor inlet values—so no transport equation has to be solved
for the average values of this species. For example, the number of components of a
flame to be calculated can be reduced to between 5 and 10 from the 30 components
that are typical for a mechanism. Unfortunately, the numerical effort is not reduced
as much as we might think at first glance; since the components are still contained
in the PSR equation system, the effort involved in solving the system remains the
same—so the numerical advantage is mainly determined by the reduction of the
required CFD iterations and reduces the required calculation time to around one-
half to one-third.
The same applies to the use of conventionally reduced mechanisms with
analytically calculated (algebraically calculated) quasi-stationarity conditions. Here
again the calculation of all reactions (forward and reverse) of the mechanism used
must be carried out. However, a certain advantage does arise in the calculation of
the Jacobian matrix.
For this purpose, the two reaction rates for both reactants can be specified as
follows as per Eq. (2.101):
% Mtr Fs
RPtr Fuel D Mix
YFuel YFuel (2.109)
1
Fs Fs
% Mtr Fs
RPtr oxi D Mix
Yoxi Yoxi (2.110)
1
Fs Fs
To determine the concentrations of the components within the fine structures, the
assumption of very fast chemical reactions is now made for the eddy dissipation
model. This results in the consumption of either all the fuel YFuel or all of the
oxygen Yoxi within the fine structures. Depending on the existing stoichiometry, this
results in
YFuel D0 or Yoxi D0 (2.112)
The component which becomes zero thus determines the rate of reaction
RPtr which is then calculated from the mass transfer and the average concentrations
with the help of the air requirement nAir .
% Mtr Fs Yoxi
RPtr D Mix min YFuel ; (2.113)
1
Fs Fs nAir
By applying Eq. (2.95) and Eq. (2.98) RPtr can be represented in its familiar form,
P " Yoxi
Rtr D CEDM %Mix min YFuel ; (2.114)
k nAir
CEDM is usually assumed to be constant and is set to values between 0.6 and 4
depending on the specific application.
Strictly speaking, this approach can only be used for an irreversible, infinitely fast
global reaction, because when one specific component occurs in several reaction
equations, the distribution of this component is not specific to the individual
reactions. Nevertheless, this approach is often used and produces useful results on
54 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
We speak of heat conduction when a heat flow occurs in a body due to an uneven
temperature distribution. To consider the case of heat conduction on its own, further
energy transfer mechanisms such as convection and radiation are excluded in the
following. Experience and/or observation shows that the heat flow matches the
following conditions in this case:
PqE rT
ˇ ˇD (2.116)
ˇ PqE ˇ jrTj
Heat flow vector and temperature gradient vector correspond to one another
direction-wise as per Eq. (2.116), but they are oppositely oriented.
Regarding the magnitude of the heat flow vector, the following Eq. (2.117) shows
that the temperature gradient and heat flow vector quantities are proportional to one
another:
ˇ ˇ
ˇ PqE ˇ / jrTj (2.117)
The heat flow is specified as a vector variable through magnitude and direction.
Fourier’s heat conduction equation expresses the knowledge of the equations (2.116)
and (2.117) and is written in vector notation as follows:
PqE D rT (2.118)
@T @T @T
qPx D ; qPy D ; qPz D (2.119)
@x @y @z
a case-by-case basis whether or not the change in heat conductivity must be taken
into account with temperature and location. We must also specify the functional
context through which dependence is to be represented (piecewise constant, linear,
or approximated through a polynomial). Of course, that which applies to heat
conductivity also applies to all other physical characteristics which are part of the
heat transfer process in question. With regard to the creation of the model, it is
important to determine in advance the form in which the material data is provided.
To illustrate the extremes, we could either take all the necessary material data of
a suitable database or, alternatively, provide corresponding functions in program
components that in turn provide the desired physical properties when the function is
called. The advantage of a central material database is provision within a more easily
organizable data structure. One hindrance associated with the modeling of complex
heat-technical systems is the various requirements for the material data collection.
For the dynamic simulation of a thermal plant, for example, we would need the
material data of the working medium, of the fuel, of the gas mixture occurring in the
furnace, and of the material itself. A comprehensive database which can provide all
these variables in dependence on the operating state is complex and difficult to find.
The provision of material values matched to each case in question may therefore be
necessary.
In the light of the statements in Sect. 2.3.1, the energy balance for the volume
element in the body can be formulated as follows, cf. Fig. 2.11:
y)
+d
qx(x) (y
qy
qx(x+dx)
dz
)
(y
qy
dy
dx
qz(z)
56 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
As per Eq. (2.120), the change in internal energy is dependent on the amounts
of heat Qx;y;z transported over the control surfaces of the balance space and on the
energy sources and sinks W within the system boundaries. As per Fig. 2.11, the
following applies, but in more detail:
@U
d D qx .x/ qx .x C dx/ dAx
@
C qy .y/ qy .y C dy/ dAy (2.121)
C qz .z/ qz .z C dz/ dAz
C WVo dx dy dz
Substituting the corresponding values from Eq. (2.119) for the spec. heat flows,
we obtain:
!
@T @T @T @ @T
% cp dxdydz D dydz C dx dydz
@ @x @x @x @x
!
@T @T @ @T
dxdz C dy dxdz
@y @y @y @y (2.122)
!
@T @T @ @T
dxdy C dz dxdy
@z @z @z @z
C WVo dxdydz
or
@T WVo
D a T C (2.124)
@ % cp
2.3 Heat Conduction and Diffusion 57
Fig. 2.12 Angle for the Fourier equation. (a) Cylindrical coordinate system. (b) Spherical
coordinate system
using the Laplace operator . On the basis of this division by % cp we obtain (on the
right side of the equations (2.123) and (2.124) the variable a D =.% cp /, referred
to as thermal diffusivity. The volumetric energy source or sink WVo can be attributed
to chemical reactions or physical procedures. If we refer to a cylindrical or spherical
coordinate system (see Fig. 2.12), instead of to a Cartesian system, the following
expressions should be substituted for the Laplace operator :
• cylindrical coordinates:
1 @ @T 1 @2 T @2 T
T D r C 2 C (2.125)
r @r @r r @ 2 @z2
• spherical coordinates:
1 @ 2 @T 1 @ @T 1 @T 2
T D 2 r C 2 sin C 2 (2.126)
r @r @r r sin @ @ r sin2 @' 2
With the boundary condition, we distinguish between the first, second, and third
types; the one used in any given case depends on the problem at hand and the
available information.
• Boundary condition 1st type: In this case the temperature distribution at the
boundary of the computational domain must be specified. This temperature could
be constant #Wa ./ D const or time-dependent and in this case it may also be
periodically changeable, for example, #Wa ./ D #0 cos.˝ /. Here ˝ designates
the circular frequency, with which the boundary temperature should periodically
change.
• Boundary condition 2nd type: The second type boundary condition specifies
the heat flow across the boundary PqEWa D PqEWa ./. One example of this is the
presence of an energy source or sink at the edge. The source or sink releases a
flow of energy, such as an electric heater. Since a heat flow occurring at the edge
or on the surface of the control volume must be transported by heat conduction
into or out of the system in question, the heat conduction equation also applies
for the edge or surface, cf. Eq. (2.118). Applied correctly, this means that the
following relation applies at the edge:
@T
PqEWa D (2.127)
@nE Wa
The gradient of the temperature at the edge is specified with the magnitude of the
heat flow. It follows that in the case of the adiabatic wall, if qEWa D 0, then (also)
.@T=@n/E Wa D 0 and that the temperature patterns T.n/ E applied in the direction of
the normal vector nE will flow normally into the wall.
• Boundary condition 3rd type: If the body in question is in thermal contact with
an ambient fluid, we refer to the process which takes place as a heat transfer.
Newton’s Law of Cooling is generally used to describe heat transfer:
Since the heat flow transferred from the fluid to the body by heat transfer
must be the same for that which is transported by heat conduction to the interior
of the body, we can equate the equations (2.127) and (2.128). We then obtain the
following:
@T ˛.T1 TWa /
D (2.129)
@nE Wa
The derivation of the temperature profile as per the normal vector is defined
by the quotient on the right-hand side of equation (2.129). This is illustrated
by Fig. 2.13. The slope of the tangent of the temperature profile at the surface
in question is defined as =˛ by the quotient .T1 TWa /. With constant
material properties and a given temperature of the fluid, we can construct a
2.3 Heat Conduction and Diffusion 59
/
n
Directional point
qWa
Wa 3
Wa 2
TWa 1 Wa 1
directional point (as shown in Fig. 2.13) through which the tangent must go on
the temperature profile at the given time.
In Sect. 6.3.1, the discretization of the one-dimensional heat conduction equation
in cylindrical coordinates for a thin-walled and a thick-walled tube (by means of the
finite volume method) is presented in detail.
jEA D cA .wEA w/
E (2.131)
The diffusion flow density given with Eq. (2.131) is a molar variable with the
unit mol/(m2 s). If we multiply Eq. (2.131) by the molar mass MA of substance A,
we obtain the mass-related diffusion flow density jE?A :
In addition to the velocity wE at the center of gravity of the mass, we also use the
average molar rate as a reference.
If a concentration gradient is present in a fluid in one direction (in this case the z
coordinate), the diffusion flow density jA results in the following under steady-state
conditions, through Fick’s first law:
dcA d A
jA D Dbin;AB D Dbin;AB ccompl (2.133)
dz dz
The total molar concentration ccompl is calculated from the two quantities nA and
nB and the total volume Vcompl by means of:
nA C nB
ccompl D (2.134)
Vcompl
In the case of gases, the following relationship applies on the basis of the ideal
gas law:
Dbin;AB dpA d A
jA D D Dbin;AB ccompl (2.135)
< T dz dz
In multicomponent systems, the relationships are much more complex, cf. Bird et al.
(2002); according to Baehr and Stephan (1994), the diffusion flow density related to
the velocity at the center of gravity is obtained as follows:
X
n
MA Mi d A
j?A D % 2
Dbin;A i (2.136)
M dz
iD1 i¤A
In Eq. (2.137), ˝diff is the collision integral, whereby this is dependent on the
force constant "AB:
kBo T
˝diff D f (2.138)
"AB
The force constants "AB and AB given in (2.137) and (2.138) are calculated from
the Lennard-Jones force constants "i and i , as expressed in the following:
p
"AB D "A "B and AB D 0:5 .A C B / (2.139)
kBo T T 1=3
D 1:3 and D 1:18 Vmol;crit (2.140)
" Tcrit
The kinetic theory describing diffusion in liquids is not as well developed as the
theory for diffusion in rarefied gases. The Nernst–Einstein relationship serves as a
62 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
The quotient .wA =FA / defines the mobility of a dissolved molecule or particle,
where wA is the equilibrium velocity pertaining to the force FA . With a known
particle form, the ratio .wA =FA / can be specified by the solution of the equation
of motion for creeping flow. For spherical particles—and assuming a possible slip
motion at the particle surface—we obtain:
wA 3 B C rA ˇAB 1
D (2.142)
FA 2 B C rA ˇAB 6 B rA
In Eq. (2.142) B denotes the viscosity of the pure solvent, rA is the radius of
the solute, diffusing particles, or molecules, and ˇAB is the coefficient of “sliding
friction.”
Both ˇAB ! 1 and ˇAB D 0 are of interest: in the case of ˇAB ! 1 (no-slip
condition), Eq. (2.142) becomes Stoke’s Law and Eq. (2.141) becomes the “Stokes-
Einstein” equation:
Dbin;AB B 1
D (2.143)
kBo T 6 rA
Dbin;AB B 1
D (2.144)
kBo T 4 rA
As mentioned above, since the theory of diffusion in liquids does not give
us generalized, usable, and satisfactory results, we must often use empirical
relationships. If the concentration of the substance A in substance B is low, we
may use the relationship as per Wilke and Chang (1955):
p
8 B MB T
Dbin;AB D 7:4 10 0:6
(2.145)
B VA;mol
(B should be inserted in 103 Pas and the molar volume in cm3 /mol einzusetzen).
Pi is designated as the parachor and results from:
The parachor is determined from the molar volume V and the surface tension
of the dissolved liquid and the solvent. To use this equation, a number of
conditions must be met and these are described in Poling et al. (2001). In the
relationship (2.147), the surface tension should be entered in dyn/cm g/s2
103 N/m and the molar volume in cm3 /mol.
Other relationships, such as those in Hayduk and Minhas (1982) and Nakanishi
(1978), can also be found in Poling et al. (2001).
Molecular Diffusion
In molecular diffusion, the diffusion process is similar to that described in the free
gas space by Fick’s first law; however, an effective diffusion coefficient can now be
used:
Dbin;AB "Por dc1 dc1
jA D D Deff ;AB (2.148)
tor dy dy
In the above Eq. (2.148), "Por describes the proportion of pores on the total
surface of the particle, while 1=tor is referred to as a labyrinth factor (tor is
termed the tortuosity factor). As can be derived from the name, tor describes the
“labyrinthine passages” and connections of the pores in the interior of the particle.
Eq. (2.148) shows that an effective diffusion coefficient Dbin;AB is calculated from the
binary diffusion coefficient Deff ;AB , taking "Por and tor into account. The tortuosity
factor must usually be determined experimentally; in some cases, a theoretical
estimation is possible, according to Wheeler and Hart (1951) and as quoted in
64 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Baerns et al. (1987). "P is usually equated to the relative pore volume, whereby
characteristic values lie between 0:2 < "Por < 0:7.
Knudsen Diffusion
Knudsen diffusion applies in cases of, e.g., low gas pressures or small pore
diameters, where the gas molecules collide more frequently against the pore wall
than against other molecules. According to the kinetic theory of gases, the Knudsen
diffusion flow through a cylindrical pore is as follows:
dnA 4 dPor pA
jA D 2
D p (2.149)
d rPor 3 2 MA < T y
If we assume that the flowing medium is an ideal gas, we obtain the following
for the pore with the circular cross-section dPor D 2 rPor :
s
dPor 8 < T cA
jA D (2.150)
3 MA y
Analogous to Fick’s law, the Eq. (2.150) of the Knudsen diffusion coefficient
gives us:
s
dPor 8<T
DKA D (2.151)
3 MA
In the case of a porous solid, an effective diffusion coefficient can also be defined
in Knudsen diffusion—and as in the case of molecular diffusion, this coefficient also
takes the relative pore volume and the tortuosity factor tor into account:
s
"Por dPor 8<T
Deff ;KA D (2.152)
tor 3 MA
The other points of mass transfer in the transition region between molecular and
Knudsen diffusion, the Poiseuille flow, and surface diffusion are not covered here in
detail, cf. Baerns et al. (1987) and Bird et al. (2002).
In order to describe the physical processes in heat and mass transfer in a tube, we
must know the many parameters involved. In addition to the thermodynamic state
2.4 Convective Heat and Mass Transfer 65
variables of the fluid, these also include the heat transfer coefficient from the fluid
to the tube wall, the tube roughness, the physical state of the fluid, and information
about the flow state of the medium that is to be studied (laminar or turbulent flow),
etc.
˛ denotes the local heat transfer coefficients. The calculation of these variables
requires previous knowledge of the velocity and temperature fields in the flowing
medium. The heat transfer coefficient ˛ can, however, only be exactly calculated in
very simple cases, e.g., for a non-disturbed laminar flow (Baehr and Stephan 1994).
The determination of the heat transfer coefficient must therefore be carried out in
experimental fashion.
Since the local heat transfer coefficient can be different at each point of the wall,
a surface-related, average heat transfer coefficient ˛ is specified in practice.
QP
˛D (2.154)
AO #Wa #f
Here QP describes the heat flow which passes from the surface AO to the fluid.
Equation (2.154) is used to calculate the heat transfer coefficient—it is not suitable,
however, for describing the mechanisms of heat and mass transfer. This can only be
done through a detailed analysis of the flow.
According to Baehr and Stephan (1994), since the variations in the number of
influencing variables lay between five and ten (during the course of the experimental
determination of the heat transfer coefficients), similarity and model laws were used
to reduce the number of tests needed to determine ˛. The dimensionless parameter
66 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
required for the determination of the heat transfer coefficients was first introduced
in the fundamental work of Nusselt (1915). The Nusselt number Nu (named after its
discoverer) expresses the ratio of convective heat transfer to pure heat conduction in
the boundary layer:
˛l
Nu D (2.155)
bl
with
wl%
Re D (2.157)
cp
Pr D (2.158)
With the aid of these similarity relations, the results gained in modeling
experiments for convective heat transfer can be transferred to geometrically similar
large versions, if the dimensionless parameters for the model and the large plant
match one another.
A detailed general description of heat transfer can be found in Prandtl et al.
(1990), Baehr and Stephan (1994), Hausen (1976), or Michejew (1961) (et alia).
To describe local heat and mass transfer conditions, certain functions apply in the
case of forced convection; these functions contain the Reynolds and Prandtl number
as a power product, although other factors for the description of effects may also be
incorporated, such as a flow which is not yet fully developed.
The above relations in Eq. (2.159) are valid for the local Nusselt and Sherwood
numbers; in the case of complex geometries, the transferred heat flows can only be
determined experimentally. To do this, we measure the transferred heat and material
flows and the associated temperature and concentration differences on a body (with
a flow moving around it) or on a geometrically similar model. The heat and mass
transfer coefficients can be determined by means of the experimentally obtained
data:
QP mP
˛D ; ˛D (2.160)
A # A #
With the determined values of the heat or mass transfer coefficient, we can
construct the Nusselt or Sherwood number as a function of the other coefficients
Re, Pr or Re, Sc. For some simple bodies, the heat and mass transfer coefficient
can be calculated by solving the boundary layer equations—details can be found in
Baehr and Stephan (1994) (et alia).
The following diagram illustrates the conceptual model of laminar and turbulent
boundary layer on a flat plate subjected to a parallel flow (Fig. 2.14).
The next layer after the leading edge is the laminar boundary layer. After a certain
run-length xlam , that is correlated with a Reynolds number Re D w xlam = which in
turn is created with the original run-length, the flow becomes unstable; this occurs
from Reynolds number values of around Re 60000. Beyond this value for Re
small disturbances are no longer damped; disturbances of a particularly small or
large frequency are still damped. This behavior is described as the transition region
between laminar and turbulent flow. Only after a further increase in the run-length
towards xturb , does a fully turbulent flow occur, resulting in values of Re D 3 : : : 5
105 for the Reynolds number. Even with a fully turbulent flow, a thin layer which
evinces viscous behavior directly envelopes the wall. Within the layer the turbulent
fluctuation movements are attenuated and we term this the viscous sublayer.
When a turbulent flow is fully developed, Reynold’s analogy—which states that
heat and mass transfer coefficients are linked by the coefficient of friction—applies:
Nu Sh Fric
D D for Pr D Sc D 1 (2.161)
Re Re 2
68 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
y
x Viscous sublayer
Fig. 2.14 Formation of the boundary layer at a plate which is subjected to a lengthwise flow
(Baehr and Stephan 1998)
can be used for the coefficient of friction, resulting in the following function:
Nu Sh
D D 0:0296 Re1=5 for Pr D Sc D 1 (2.163)
Re Re
w2
h0 D h C (2.164)
2
In a reversible flow, this results in a pressure increase at the stagnation point
due to h D h.s; p/ for s D const. On a flow line in the vicinity of the body, the
particle is therefore accelerated and consequently moves in a zone of decreasing
pressure. After the point where the profile is at its thickest, the fluid particle is once
more retarded and the pressure again increases. In the real flow, irreversibility causes
2.4 Convective Heat and Mass Transfer 69
A
S
Fig. 2.15 Boundary layer on a cylindrical body; S = Stagnation point, A = Separation point, ı D
Boundary layer thickness (Baehr and Stephan 1998)
kinetic energy to be dissipated by friction and then converted into internal energy.
The kinetic energy gained during the acceleration phase is therefore less than in the
reversible flow. As a result, the particle in question has exhausted its kinetic energy
even before it enters the zone of rising pressure. This causes a change in the direction
of flow and a reverse flow zone is created through which the main flow is displaced
from the surface. Behind the separation point, the pressure remains approximately
constant; a describable flow no longer exists and heat and mass transfer come to a
virtual standstill in the subsequent still water zone, cf. Fig. 2.15.
In the case of the circular cylinder in a cross-flow, the flow affects heat and mass
transfer in an extremely complex way. Separation begins at an angle of around
80ı for a Reynolds number range from Re D 70000 to 220000. In the case of
a decreasing Nu number up to the separation point, this subsequently increases
again, because the fluid is strongly mixed by the separation eddies. Figure 2.16
illustrates this behavior qualitatively in the lower curve for Re < 1 105 . At
higher Reynolds numbers, the curve possesses a maximum after the separation
point, because the laminar boundary layer changes into a turbulent layer with better
mixing. As the thickness of the turbulent boundary layer increases, the Nusselt
number again decreases until the second minimum is reached. The above-mentioned
eddy separation ultimately results in an increase in the Nusselt number in the range
of ' > 140ı .
The tube bundle subjected to a cross-flow is of great importance for heat transfer
in steam generator construction, because many important heat exchangers, e.g.,
in the secondary heating surface segment (superheaters, feedwater preheaters) are
designed as heating surface bundles. The geometrical relationships in the bundle
(pitch across width, longitudinal pitch, in-line or staggered tube arrangement) must
be taken into account when determining a valid Nusselt number for the tube bundle.
Figure 2.17 shows the conventional types of tube assembly on heating surfaces.
The further procedure for calculating the heat transfer coefficient for a plain-tube
bundle is shown, e.g., in VDI-Wärmeatlas (2006). Only the most important points
are therefore mentioned here.
70 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Nu
800
5
700 Re>2 10
600
d
ϕ 500
400
300
200
5
100 Re<1 10
40 80 120 160
ϕ
Fig. 2.16 Local Nusselt number on a cylinder subjected to a cross-flow dependent on Re and '
(Baehr and Stephan 1998)
da da
da
tl
tl
tl
tq tq tq
Fig. 2.17 : Common tube assemblies on heating surface bundles, Left: in-line, Center: staggered
(narrowest cross-section transverse to the direction of flow), Right: staggered (narrowest cross-
section transverse in the diagonal)
The relations given in Eq. (2.165) for the transverse- and longitudinal pitch ratios
q and l are calculated using the transverse- and longitudinal pitch tq ; tl :
tq tl
q D and l D (2.165)
da da
2.4 Convective Heat and Mass Transfer 71
The pitch ratios are then used to calculate the void fraction:
D1 for l 1 (2.166)
4 q
or
D1 for l < 1 (2.167)
4 q l
The relationship for calculating the Nusselt number of a single tube row in a
cross-flow (as indicated by the index 1) is
q
Nu1 D 0:3 C Nu21;lam C Nu21;turb (2.168)
with
p p
3
Nu1;lam D 0:664 Re ;1 Pr (2.169)
0:037 Re0:8;1 Pr
Nu1;turb D (2.170)
1 C 2:443 Re0:1
;1 .Pr
2=3 1/
and
Re
Re ;1 D (2.171)
The “overflow length” of the individual plain tube 0:5da should be inserted
as a characteristic length for the determination of the Reynolds number Re. The
value from Eq. (2.166) should be used for in the single tube row in Eq. (2.171).
The Nusselt number of the bundle Nubundle results from multiplying Nu1 by an
arrangement factor fconfig , which is dependent on the arrangement of tubes. The
correct value of the void fraction should also be inserted as per Eq. (2.166) or
Eq. (2.167).
Fig. 2.18 Selected examples of finned tubes. (a) Segmented spiral finned tube. (b) Rectangular
finned tube
As in the case of a plain tube, the entire heat flow transfer for a finned tube can
be calculated with the help of the relationship
The following applies for the thermal resistance k Aa;O;compl of a finned wall:
1 1 sWa 1
D C C (2.174)
k Aa;O;compl ˛in Ain;O Wa A ˛fin .Aa;O C
fin Afin;O;compl /
Here Wa is the average heat conductivity, sWa is the wall thickness, and A1
is the average area of the unfinned wall; Ain;O is the surface and ˛in is the heat
transfer coefficient on the inside of the tube. ˛fin denotes the (average) heat transfer
coefficient between the fluid and the fin; Afin;O;compl is the entire fin surface, and
Aa;O;compl is the entire outer surface of the finned tube. The fin-free exterior base
area of the plain tube is calculated from Aa;O D Aa;O;compl Afin;O;compl . The fin
efficiency is denoted by
fin .
The fin efficiency is defined as follows: the ratio of the heat flow QP fin (that the fin
actually absorbs) to the theoretical heat flow QP fin;theo , which the fin would receive
if it possessed the temperature of the fin base (tube surface) #R;O along its entire
length.
1
In the case of thin-walled tubes, the average area of the unfinned tube wall A can be replaced by
Ain;O for the sake of simplicity.
2.4 Convective Heat and Mass Transfer 73
Fin efficiency is always less than 1 and is formally calculated from the relation-
ship
tanh.bfin /
fin D (2.176)
bfin
Here sfin denotes fin thickness, Hfin;wei a weighted fin height, and fin the thermal
conductivity of the fin. The weighted fin height Hfin;wei is dependent on the form
of the fin. For the frequently used circular fin (according to Schmidt (1963a)) this
results in the following approximate example:
2Hfin
Hfin;wei D Hfin 1 C 0:35 ln 1 C (2.178)
da
with the fin height Hfin and the outer tube diameter da .
For further information on the theory of heat transfer using fin geometries, please
refer to the relevant literature, such as Baehr and Stephan (2008), Shah and Sekulić
(2003), Stasiulevičius and Skrinska (1988), HDEH (2002), or Webb (1994).
Notwithstanding the widespread use of finned tubes, the calculation equations
for heat transfer are generally insufficient for the complex physical processes in
and on the fin tube. The reason for this is the far larger number of parameters
that have to be varied compared to those of the plain tube. This is why there is
a great deal of literature dealing with the problem of heat transfer at finned tubes
(see, for example, Bogdanoff (1955), Fraß and Linzer (1992), Reid and Taborek
(1994), Wang et al. (2001), Kim et al. (1999), Hofmann et al. (2007), Hofmann
et al. (2008), Hofmann (2009), Hofmann and Walter (2012a), Hofmann and Walter
(2012b), Weierman et al. (1978), Schmidt (1963a), and Schmidt (1963b)). For this
reason, many manufacturers carry out heat transfer experiments on their finned
tubes, correcting the relationships taken from the literature.
The calculation equations of the finned tube manufacturer ESCOA are very
widespread in practice. They are used for calculating the heat transfer coefficient
on finned tube bundles which are subjected to a cross-flow and have segmented (see
Fig. 2.18a) or smooth, spiral circular fins. The given ESCOA equations are based on
the works of Weierman (1975), Weierman (1976), and Weierman et al. (1978).
74 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
The coefficients Cfin;1 , Cfin;3 , and Cfin;5 are dependent on the geometrical design
of the fin (solid or segmented), or the tube arrangement in the heat exchanger bundle
(in-line or staggered) and should be used as follows:
In-Line Arrangement
tl 2:3 0:21
Cfin;1 D 0:053 1:45 2:9 Re (2.180)
da
2tl
Cfin;5 D 1:1 0:75 1:5 exp 0:7nfin exp (2.181)
tq
0:25 Hfin
Cfin;3 D 0:2 C 0:65 exp solid fin (2.182)
tfin sfin
and
0:26 Hfin
Cfin;3 D 0:25 C 0:6 exp segmented fin (2.183)
tfin sfin
Staggered Arrangement
and
0:17 Hfin
Cfin;3 D 0:35 C 0:65 exp segmented fin (2.187)
tfin sfin
nfin is the number of rows of tubes in the flow direction of the discharge gas. The
coefficients Cfin;1 and Cfin;5 of the in-line or staggered tube arrangement are identical
2.4 Convective Heat and Mass Transfer 75
for the segmented and the plain, spiraled circular fin. The outside diameter of the
plain tube da is used as the characteristic length for the Reynolds and Nusselt
number in Eq. (2.179). ESCOA replaced the fin efficiency
fin , in the calculation—
as illustrated in equation (2.176)—with the following correction equation as per
Weierman (1976):
etafin;corr D
fin 0:9 C 0:1
fin (2.188)
This has proven to be effective in water and steam zones alike. Equation (2.189)
contains the relationship of the frictional pressure drop as per Konakov (1954)
Here T f is the average fluid temperature of the gas and T Wa is the average wall
temperature.
In general, the term given by Hausen (1959) used to address the dependence of
the heat transfer coefficient of thermal and fluid dynamic inflow in short tubes
2=3
din
K2 D 1 C
l
can be disregarded due to the extensive longitudinal expansion of the tubes in the
steam generator and the consequently diminishing influence of this correction factor.
2300 Re 106 , 0:6 Pr 105 and din =l 1 represent the range of definition
of Eq. (2.189).
In the case of hydrodynamic, fully developed laminar tube flow, Leithner (1984)
and Gnielinski (2006) specify the equation
for the average Nusselt number, where the relationship is defined for Reynolds
numbers Re < 2300.
In the transition zone between laminar and turbulent tube flow, 2300 Re < 104 ,
we can linearly interpolate between the two relationships (2.189) and (2.190) as per
the following equation:
not all the properties change continuously. The considerable increase in volume
is associated with an increase in specific heat capacity—and so we also call this
area the pseudophase-change. Dynamic viscosity and thermal conductivity levels
fall sharply, however (see Griem (1995) or Styrikowitsch et al. (1959)). With the
numerical simulation of pseudo-boiling, the difficulty lies in determining the correct
reference temperature for the specific heat capacity, since even a small change in
temperature in the pseudophase-change. Considerably changes this variable. The
temperature at which specific heat capacity achieves its maximum is termed the
pseudo-critical temperature Tpc and in the case of water, this temperature rises with
the pressure as per Eq. (2.192):
hWa hf
cp f D (2.193)
TWa Tf
The further the pressure moves away from the critical pressure, the less impact
the effects of the pseudophase-change have.
As per Kakarala and Thomas (1974) and Hall and Jackson (1978), pseudo-
boiling can be observed at low heat flow densities and high mass flow density. Due to
the low heat flow, there is little temperature difference between the tube wall surface
and the core flow. Almost constant material properties exist over the entire cross-
section—and this explains the significant influence of spec. heat capacity on heat
transfer. If the heat flow density is increased or the mass flow density reduced, the
temperature difference between the wall surface and the average fluid temperature
increases accordingly. Consequently, constant physical properties are no longer
present on the tube cross-section and the maxima of the heat transfer coefficients are
reduced. If the heat flow density increases further, or mass flow density is further
reduced, this leads to a considerable increase in the wall temperature. In the case
of this procedure we speak of pseudo-film boiling which is associated with the
procedures in the subcritical range—here the wall surface temperature lies above the
pseudo-critical temperature and the average fluid temperature still lies below it. In
this case the heat transfer coefficient decreases. As experiments by Yamagata et al.
(1972) and Lee and Haller (1974) have shown, the limit for pseudo-film boiling lies
at very high heating surface loads. The relationship as per Yamagata et al. (1972)
with the following exponents which are dependent on the reference temperature:
8
ˆ
ˆ 0:4 for TWa Tpc
ˆ
ˆ
ˆ
ˆ
ˆ
ˆ or Tf 1:2 Tpc
< TWa
n D 0:4 C 0:2 1 for Tf Tpc < TWa
ˆ
ˆ Tpc
ˆ
ˆ
ˆ " #
ˆ
ˆ0:4 C 0:2 Wa 1 1 5 TWa 1
T
:̂ for Tpc < Tf < 1:2 Tpc
Tpc Tpc
The values calculated with Griem’s correlation are more consistent with the
experimentally determined heat transfer coefficients. In contrast, however, the
relationship recommended by Kakaç et al. (1987) achieves almost as good results
with less computational effort.
Figure 2.19 shows the development of the heat transfer coefficient as a function
of the heat flow density and the spec. enthalpy for a vertical tube in the supercritical
pressure range at a pressure of p D 250 bar.
The above diagram of forced convective heat transfer is for a tube flow without
the change of physical state associated with the simultaneous presence of coexisting
phases. In many technical applications, however, there are areas in which a
multiphase flow is present, such as in the evaporator or condenser of a power plant,
a refrigerator or a heat pump. Please refer to Sect. 2.7.1 for the technically important
subrange of convective heat transfer of a two-phase flow liquid/gas in a tube.
2.5 Radiation 79
30
20
10
0
15
00
He
at
flo 1000
w
de 3 0 00
ns
ity 2 500
5
[kW 00 2000 J/kg]
/m 2
10 1500 Enth alpy [k
] 0 1 0 00 spec.
Fig. 2.19 Heat transfer coefficients as a function of the heat flow density and the spec. enthalpy
in the supercritical pressure range (Walter 2001)
2.5 Radiation
The energy transport of hot combustion gases to the surrounding walls takes
place in the combustion chamber of a steam generator mainly through radiation
that is thermally excited. It is emitted from every body and is dependent on the
body’s material properties and temperature. We call this temperature radiation,
heat radiation, or thermal radiation. There are two approaches available for the
theoretical description of the emission, transfer, and absorption of radiant energy:
the classical theory of electromagnetic waves and the quantum theory of photons.
These theories are not mutually exclusive—they are complementary and each
theory is able to describe certain specific aspects of energy transfer by radiation
exceptionally well (Baehr and Stephan 2004).
The process of heat radiation is generally based on other physical processes than
heat transfer by convection. Convection is a combination of the energy transport
of thermal internal energy (which is bound to a substance and is transported
with that substance) and heat conduction (which is responsible for the transport
of thermal internal energy in a material itself). The convective flow of energy is
proportional to the temperature difference between a fluid medium and the surface
of its bounding walls. In contrast, the transport of energy by radiation is carried out
via electromagnetic waves and is not linked to the presence of matter. The difference
in thermodynamic (absolute) temperature to the power of four is decisive for the
energy transport by radiation between two bodies.
Seen from one point, energy is transported by radiation in straight lines in all
directions of space. As mentioned above, the density of the energy flow (radiation
intensity) is dependent on wavelength and direction. In a radiation-active medium,
it can be changed by means of emission, absorption, reflection, and scattering. In
80 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
ds I(s+ds)
n - Emergent radiation
diatio
orb ed ra
- Abs
dV iation
lf rad z
dA + Se s
y
x
I(s)
+ Incident radiation
Fig. 2.20 Balancing of the radiation intensity along the propagation direction
emission and absorption, thermal internal energy is converted into radiation energy
or vice versa, while reflection and scattering only effect a change in the direction
of the radiation. Since emission is predominant at high temperatures and absorption
predominates at low temperatures, heat radiation causes energy to be transported
from the hot combustion zone of the furnace into colder areas such as walls and
heating zones, even against the flow direction of the fluid media. Heat radiation
thus affects energy balance and has a direct effect on temperature distribution in a
combustion chamber (Kühlert 1998).
The physical principles of radiation in technical problems can be found in many
textbooks, such as Siegel and Howell (1992) or Baehr and Stephan (2004). The
transport of energy by radiation is mathematically described by the radiative transfer
equation. It can be derived by means of an energy balance as shown in Fig. 2.20 and
is as follows for a radiation-active medium at a position in space rE in direction sE:
r; sE/
dI.E rad T 4
r; sE/ D arad n2rad
C .arad C sca / I.E
ds
Z (2.196)
sca
C r; sEsca /˚.E
I.E s sEsca / d˝sca
4
4
The radiative transfer equation describes the change in intensity along the
radiation propagation direction—the intensity is reduced by absorption and dissem-
ination and increased by the interspersal of radiation energy.
In Eq. (2.196), I is the radiation intensity, rE is the position of the balance volume
in the space, sE is the propagation direction of the radiation, sEsca is the propagation
2.5 Radiation 81
direction of the scattered radiation, s is the path length, arad is the absorption
coefficient, nrad is the refractive index, sca is the scattering coefficient, rad is the
Stefan–Boltzmann constant .5:67051 108 W=.m2 K4 //, T is the thermodynamic
temperature of the medium in the balance volume, ˚ is the phase function, and ˝sca
is the solid angle of the disseminated radiation.
.arad C sca /s is the optical thickness of the medium. The phase function ˚.E s
sEsca / is a probability density function—it describes how much radiant energy (from
which direction) is interspersed in the radiation direction sE. The integral of the phase
function is normalized to one:
Z
1
˚.E
s sEsca / d˝sca D 1 (2.197)
4
4
The scattering coefficient sca can often be treated as a constant, while the
absorption coefficient arad is usually a function of the local concentration of
H2 O and CO2 (as well as all other polyatomic molecules, which are able to
absorb radiation, such as CO) of the representative layer thickness and the total
pressure. Combustion chamber diameter is used in furnaces as a representative layer
thickness, for instance.
Siegel and Howell (1992) and Modest (1993) (et alia) provide an overview of the
various procedures.
The methods used to determine the transport of energy by radiation can be
divided into three groups:
• statistical methods
• zones methods
• differential methods.
Statistical Methods
Zones Methods
Zones methods (such as the net radiation method in Siegel et al. (1991a)) were
developed for the exchange of energy by radiation between surfaces which enclose
a cavity containing a non-radiation-active medium. The geometric conditions
of the surfaces involved in radiation exchange are described by view factors.
Analytical relationships or charts to determine these view factors exist for many
standard configurations that occur in technical applications. They can also be
determined numerically with relevant calculation routines—however, this can be
time-consuming if fine discretization is involved.
The net radiation method was expanded by enclosing a radiation-active medium
within the surfaces involved in radiation exchange, see Siegel et al. (1991b).
Differential Methods
In the case of differential methods, assumptions are made regarding the dependence
of the radiation intensity on the solid angle. This achieves the separation of the
spatial coordinates from angular dependence, resulting in a system of coupled
differential equations, which contains only spatial coordinates. When we solve the
differential equations, we obtain the free parameters of the predetermined, solid
angle dependency of the intensity. As the number of differential equations increases,
the result of the determination of solid angle dependence becomes increasingly
accurate.
2.5 Radiation 83
With the Monte Carlo method, the volume and the bounding surfaces in question
are usually divided into discrete volumes or surfaces. Rays are successively emitted
from each element; the direction of the rays is determined by random numbers.
Depending on the random numbers, individual rays can be more or less scattered
in volumes or more or less absorbed. Individual rays can be reflected or absorbed
at boundary surfaces and here the direction of the reflection and the degree of
absorption are also dependent on random numbers. The path of each individual ray
is tracked until it is absorbed.
Highly accurate results can be achieved if a large number of individual rays is
involved. This method is suitable for both complex geometries and for addressing
spectral effects. One disadvantage, however, is that a great deal of computational
effort is needed to calculate even the minimum number of individual rays required
to keep statistical fluctuations at a sufficiently low level.
The Discrete Transfer method (DTM) combines features of the Zones method, the
Monte Carlo method, and flow models. The approach behind this method is based
on the assumption that energy exchange (through the radiation of a surface element
with its environment) only occurs in discrete directions in space and can thus be
modeled by means of individual rays.
Disregarding scattering and assuming a refractive index of 1, the change in
radiation intensity dI along the path ds is described thus:
dI arad rad T 4
C arad I D (2.198)
ds
Here arad is the absorption coefficient and T is the local gas temperature.
Assuming a constant absorption coefficient arad along the ray path, Eq. (2.198)
then gives us the following for I.s/:
rad T 4
I.s/ D .1 earad s / C I0 earad s (2.199)
where I0 is the intensity at the starting point of the observed ray path. If the area
above the surface is divided into balance volumes, the discrete rays penetrate these
and the intensity of the ray in question changes as per the following equation
(illustrated in Fig. 2.21 in a two-dimensional example):
rad Tq4
InC1 D .1 earad sn / C In earad sn (2.200)
84 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
In sn
In+1
Tq
q-pertinent cell
q-pertinent cell
Fig. 2.22 Influence of the different rays on the source term of a balance volume
To determine the radiant heat flow qPinl in a surface element, the intensity of incident
radiation on the surface element is integrated into the half space which extends over
2.5 Radiation 85
Here ˝ is the solid angle, the intensity of the incident beam is Iinl , sE is the
direction vector of the incident beam and the normal vector of the surface element
which faces out of the computational domain is n.E The net heat flow qPout radiated
from the surface element is calculated from the sum of the reflected radiation from
qinl and the emission of the surface element:
4
qPout D .1 "Wa / qPinl C "Wa rad TWa (2.202)
Here TWa is the thermodynamic temperature of the surface element and "Wa is its
emission coefficient. In equations (2.199) and (2.200), the necessary intensity I0 of
the surface element on the wall is in turn derived from:
qPout
I0 D (2.203)
The P-1 radiation model is the simplest model of the spherical harmonics method, in
which intensity is developed in an orthogonal series of functions on the unit sphere.
The first order approximation (P-1) gives us a differential equation, which is similar
in form to the conservation equations for momentum, energy, and mass transport.
If the series of functions is truncated after the fourth section, this results in the
following equation for the radiation flow vector PqErad :
1
PqErad D rGrad (2.204)
3 .arad C sca / Crad sca
Here the absorption coefficient is arad , the scattering coefficient sca and the
radiation variable is Grad . Crad is the coefficient of the linear phase function, which
takes an anisotropic scattering into account. After the introduction of the parameter
1
rad D (2.205)
3 .arad C sca / Crad sca
The term r PqErad can be used directly in the energy equation and is then available
for the transport of energy by radiation.
Anisotropic Scattering
In the described P-1 radiation model, the anisotropic scattering can be taken into
account by the following phase function:
sE is the direction vector of the radiation and sEsca the direction vector of the scattered
radiation. The coefficient for the linear phase function is Crad , (1 < Crad < 1), a
material variable of the fluid. Positive values take increased forward scattering into
account, negative values address increased backscattering. Crad D 0 means isotropic
scattering.
and accordingly
@Grad
qPrad; Wa D rad (2.211)
@n
We obtain the total radiant heat flow at the surface through integration over the
half space:
Z Z
4
rad TWa
IWa .E
r; sE/ nE sEd˝ D "Wa C %Wa I.E
r; E
s/ nE sE d˝ (2.212)
4 4
2.5 Radiation 87
Assuming that the surface exhibits gray body radiation, %Wa D 1 "Wa applies
and Eq. (2.213) is reduced to
"Wa 4
qPrad; Wa D 4 rad TWa Grad;Wa (2.214)
2 .2 "Wa /
The Rosseland radiation model results from the simplification of the P-1 radiation
model and is only valid for optically thick media (.arad C sca / L
1). An optical
depth of at least 3 is usually necessary.
In the case of the P-1 radiation model, the radiant heat flow is calculated from
whereby a transport equation must be solved for Grad . For the Rosseland model,
we assume that each volume element of the radiation-active medium behaves like a
black body radiator. This results in Grad D 4 rad n2rad T 4 with the refractive index n;
for the radiant heat flow we then obtain:
Here the gas temperature is Tg , the wall temperature TWa , and the adaptive
function is rad , which (as per Siegel and Howell (1992), for example) can be
calculated as follows:
8
ˆ
ˆ 0:5 W Nrad;Wa < 0:01
ˆ
< 3
2 b C 3 b2 12 b C 7
rad D W 0:01 Nrad;Wa 10 (2.221)
ˆ
ˆ 54
:̂0 W Nrad;Wa > 10
with
k .arad C sca /
Nrad;Wa D 3
(2.222)
4 rad TWa
In the Discrete Ordinates method (DO), the space is divided into discrete spatial
directions sE, thus reducing the directional dependence of the radiation transfer
equation to a few directions. In contrast to the Discrete Transfer method, no ray
tracing is performed in the Discrete Ordinates method—the radiation transport
equation Eq. (2.196) is, however, converted into this field equation:
r I.E s C .arad C sca / I.E
r; sE/E r; sE /
Z
rad T 4 sca (2.223)
D arad n2rad C r; sEsca / ˚.E
I.E s sEsca / d˝sca
4
4
q-pertinent cell
Surface f
viz. from a summation via the wavelength bands. The boundary conditions must
also be taken into account on a (wave) band basis.
90 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
and the incident radiant heat flow on the kth surface element is qPinl k .
The proportion of the radiant heat flow (emanating from a surface element j)
which hits the kth surface element is expressed by the view factor Fj k . We then
obtain the heat flow qPinl k from
X
n
Ak qPinl k D Aj qPout j Fj k (2.227)
jD1
with Ak and Aj for the kth and jth surface element, respectively.
Between the view factors of the n surface elements, the reciprocity relationship
Aj Fj k D Ak Fk j für j D 1; 2; 3; : : : n (2.228)
X
n
qPinl k D Fk j qPout j (2.229)
jD1
whereby
X
n
4
qPout k D "Wa k rad TWa k C rad k Fk j qPout j (2.230)
jD1
X
n
qPout k D Erad k C rad k Fk j qPout j (2.231)
jD1
2.6 Chemical Reactions 91
with the radiant heat flow qPout k emitted from the kth surface and its emission
performance Erad k , we now obtain n equations, which are put into the matrix form
and can be solved as per PqEout . The coefficient matrix of Eq. (2.232) is denoted by A.
The view factors can be determined from
Z Z
1 cos i cos j
Fi j D ırad dAi dAj (2.233)
Ai r2
Ai Aj
Here r describes the spatial distance (connecting line) of the two surfaces and
is the solid angle of the individual surface to the connecting line. ırad describes the
visibility, where ırad D 1 if dAj is visible for dAi and 0 otherwise.
In this chapter, we shall deal with basic concepts such as reaction energy, reaction
enthalpy, standard enthalpy of formation, reaction rate, reaction order, single and
multi-step reactions, rate laws, and reaction mechanisms. A detailed description of
reaction technology can be found, for example, in Barrow (1983) and Baerns et al.
(1987).
URea;EP D UP UE (2.234)
we can then use URea;EP to define the difference in the system energy before and
after the reaction.
As per Eq. (2.234), URea;EP is positive when energy is absorbed and negative
when energy is released in the form of heat during the course of the reaction; the
necessity for the supply or discharge of energy arises from the requirement to ensure
that the process basically runs isothermally.
Since many reactions take place in open vessels, viz. under the influence of
atmospheric pressure, volume change work is also carried out during the reaction—
and the process variables which occur at the system limits during the chemical
reaction are heat and work:
Reaction rate is defined as the number of molecules which react per period, or the
number of moles based on the volume. If we again refer to the generalized reaction
equation:
with the concentrations cEi of the reactants and cPk of the products formed as well as
the stoichiometric coefficients i;E and i;P , the definition of the volumetric reaction
rate is then as follows:
1 dcEi 1 dcPk
RPvol D or RPvol D C (2.236)
i;E k;P
2.6 Chemical Reactions 93
The temporal reduction of a reactant (negative algebraic sign) has therefore the
same amount as the increase in one of the resulting products (positive algebraic
sign).
The reaction rate thus defined is a function of the boundary conditions under
which the reaction takes place, i.e., it is dependent on the concentrations cEi of
the reactants (or the corresponding partial pressures) in gas-phase reactions and is
dependent on the temperature. The following generally applies:
Y
m
RPvol D kRea cEi;E
i
(2.238)
iD1
H C Br2 ! HBr C Br
H2 C Br2 ! 2HBr
we actually can expect only integer reaction orders; however, fractional reaction
orders are possible through coupling with subsequent reactions.
The most important rate laws used in reaction technology are shown in Table 2.3:
Zc Z
dc
D kRea d (2.240)
c
cDc0 D0
2.6 Chemical Reactions 95
or
c
ln D kRea (2.241)
c0
kRea
log.c/ D C log.c0 / (2.242)
2:303
Any attempt to adjust the measurement data to a different rate law would have
failed. The value of the rate constants can be calculated from the slope of the log c;
straight line.
As per the second order, reactions take place when the rate of the square of
a reactant’s concentration or of the product of two reactants’ concentrations is
proportional. With the same high initial concentration of the two reactants, this
case is reduced to the previously described case; provided that the two reactants
are involved in the course of the reaction to the same extent. The result is therefore:
Zc Z
dc 1 1
D kRea d D D kRea (2.243)
c c c0
cDc0 D0
In the case of the reaction order n D 2, the measuring points in a 1=c; diagram
therefore lie on a straight line. We again obtain the rate constant kRea from the slope
of the straight line.
The following result is obtained through conversion at different initial concentra-
tions .c0;1 ; c0;2 / of the two reactants and the existing product concentration c at the
point in time :
dc
RPvol D kRea .c0;1 c/ .c0;2 c/ (2.244)
d
After decomposing partial fractions, inserting the limits and further conversion,
the result is
1 c0;2 .c0;1 c/
ln D kRea (2.245)
c0;1 c0;2 c0;1 .c0;2 c/
In contrast to the single-phase flow, two physical phases coexist in two-phase flows
(solid–liquid, solid–gas, liquid–gas, or liquid–liquid). We use the term two-phase
flow also when two phases are associated with different materials, such as an ash
particle being transported with the exhaust-gas mass flow.
The most widely used forms of two-phase flow in steam generator construction—
gas-liquid and gas-solid—will be explained in more detail in the following sections.
In a gas–liquid flow, both phases can assume very different phase distributions
(referred to as flow pattern). These flow patterns are dependent on the volume
fraction of the gas in the total flow and the position of the flow channel in the
space (horizontal, vertical, or inclined). Important physical parameters influencing
the flow pattern include surface tension, fluid velocity, heat flow from the wall, and
gravity.
When modeling a two-phase flow, it is very important to know the flow pattern
that occur, since they have a big impact on the modeling of physical phenomena.
So a model that has been specifically developed for, e.g., a bubble flow would not
provide good results for an annular flow.
Figure 2.24 shows the basic types of flow pattern in a horizontal tube. Figure 2.28
shows a vertical tube with upward flow. In both cases, the fluid enters as a subcooled
liquid into the heated evaporation tube and leaves this as superheated vapor. Mixed
and transitional forms can also occur between the flow modes shown. A detailed
description of individual horizontal and vertical flow modes can be found, for
example, in Delhaye (1981a), Collier and Thome (1994), Baehr and Stephan (1994),
and Tong and Tang (1997).
Subcooled Superheated
Bubbly
single phase vapor
flow Plug flow Slug flow Wavy flow Annular flow
liquid
6
10
kg
m s2
5
10
4
10
Wispy
3 Annular
/ρg
10 Annular
mFlux xD
2
2
10
2
Churn Bubbly
1
10
10
0
Bubbly-
Slug slug
-1
10
1 2 3 4 5
10 10 10 10 10 kg 106
2 2 m s2
mFlux (1-xD) /ρ
f
Fig. 2.25 Flow pattern map for the vertical flow (Hewitt and Roberts 1969)
98 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
4 1
10 10
Annular flow 4
Bubbly flow
3 0
10 1 10
3
4
f1 f2 ,f3
2
Intermittent
-1
10 (plug/slug flow) 10
Wavy flow
1
1 -2
10 2 10
Stratified flow
-3
0 10
10 -3 -2 -1 0 1 2 3 4
10 10 10 10 10 10 10 10
X 2ph
Fig. 2.26 Flow pattern map for a horizontal tube (Taitel and Dukler 1976)
A more complex flow pattern map for horizontal and inclined tubes was
developed by Taitel and Dukler (1976)—it is shown in Fig. 2.26. As can be seen
in the figure, different coordinate systems are used—these are dependent on the
transition zone between the two flow pattern.
According to Taitel and Dukler (1976), the transition from wave flow to the
intermittent slug/plug flow or annular flow—curve 1 in Fig. 2.26—is calculated by
the function f1 .
r
%g wgo
f1 D p (2.246)
%f %g d g cos '
The angle ' shows the inclination of the tube relative to the horizontal; the count
is clockwise. A positive value for the angle should therefore be used for a downward
flow.
According to Taitel and Duckler, the boundary between the wavy and the
stratified flow—curve 2 in Fig. 2.26—is determined using the function f2 .
%g w2go wfo
f2 D (2.247)
.%f %g / f g cos '
wgo and wfo in the equations (2.246) and (2.247) denote the average superficial
velocities of the gaseous or liquid phase and they are defined as follows:
The transition from the bubble to the intermittent slug/plug flow is determined
using f3
s
jdp=dxjf ;Fric
f3 D (2.249)
.%f %g /g cos '
jdp=dxjf ;Fric represents the value of the frictional pressure drop of the pure liquid
phase; i.e., the calculation of the fluid-mechanical friction pressure loss is carried
out under the assumption that the liquid portion of the two-phase mixture flows in
the tube by itself. The transition from a annular flow to bubbly or the intermittent
plug/slug flows (curve 4) is defined by a line at a constant Martinelli parameter,
X2ph .
s
jdp=dxjf ;Fric
X2ph D (2.250)
jdp=dxjg;Fric
For more information on flow pattern maps in a gas–liquid flow, please refer to
Delhaye (1981a), Collier and Thome (1994), Tong and Tang (1997), and Baehr and
Stephan (1994).
so-called slip between the two physical states of the working fluid therefore exists.
An average value for the velocity and for the individual state variables is used
to calculate each phase. In the heterogeneous model, the mathematical modeling
of the two-phase flow and the associated accuracy of the physical flow processes
description depend on the number of balance equations used. In contrast to the
homogeneous model, up to six balance equations—one momentum, mass, and
energy balance for each phase—can be used for calculating the flow of the two-
phase mixture of water and steam. The solution of the equations is closed in
connection with relationships which describe the interaction of the two phases and
the interaction of the two phases with the tube wall. This additional information can
be obtained from empirical correlations that specify the wall shear stress and the
slip, or the steam volume fraction in dependence on the primary flow parameters. A
direct coupling of the two phases does not exist.
In contrast to the heterogeneous model, the two-fluid model takes into account
the interaction between the two phases in the six balance equations which describe
them. To this end, the flow of each phase is described using the “flow conduit.”
Here interactions can only occur at the phase interfacial area (the contact surfaces
of the two flow conduit tubes). In addition to these six balance equations, seven
constitutive laws are required to ensure the closing of the equation system. The
provision of the balance equations of the two-fluid model can take place with the aid
of two different forms of averaging: “temporal” (Ishii 1975) and “spatial” averaging
((Kocamustafaogullari 1971) in (Delhaye et al. 1981b)). The real difficulty here,
however, is the creation of laws for the determination of transport equation
approaches, since these are extremely complex (Haßdenteufel 1983).
The closure laws for the two-fluid model are dependent on the existing flow
pattern, which therefore has to be specified with the aid of flow pattern maps. The
two-fluid model balance equations recommended by Yadigaroglu and Lahey (1987)
and taken from Levy (1999) are detailed below for a one-dimensional tube flow.
Averaging the variables took place via the cross-sectional area of the tube. The
instantaneous averaged cross-sectional area of a variable f , which can be averaged
over the cross-sectional area of a tube at any point x, is calculated from:
Z
1
f D f dA (2.252)
A
A
For phase-dependent variables (e.g., the local velocity of the liquid wf and the
gas wg ) the corresponding cross-sectional area average is calculated from
Z Z
1 1
wf D wf dAf and wg D wg dAg (2.253)
Af Ag
Af Ag
2.7 Two-Phase Flow 101
Af and Ag represent the area occupied by the liquid or the gas. We can write the
continuity equation for the two phases as follows:
@ 1 @
%f .1 ˛ fg / C %f .1 ˛ fg /wf A D 2ph (2.254)
@ A @x
@ 1 @
%g ˛ fg C %g ˛ fg wg A D 2ph (2.255)
@ A @x
2ph denotes the volumetric mass transfer rate between the liquid and gaseous
phases. One part of this mass transfer rate can occur at the wall and the remainder
at the interface between the two phases.
Assuming an equal pressure for both phases, the following result is obtained for
the momentum balances:
@ 1 @
%f .1 ˛ fg /wf C %f .1 ˛ fg /w2f A
@ A @x
@p UWa;f Wa;f UIface Iface
D .1 ˛ fg / g%f .1 ˛ fg / sin ' C (2.256)
@x A A
@.wg wf /
2ph wIface;f C ˛ fg % b .1 ˛ fg /
@
@ 1 @
%g ˛ fg wg C %g ˛ fg w2g A
@ A @x
@p UWa;g Wa;g UIface Iface
D ˛ fg g%g ˛ fg sin ' (2.257)
@x A A
@.wg wf /
C 2ph wIface;g ˛ fg % b .1 ˛ fg /
@
The terms on the right-hand side of the equations (2.256) and (2.257) represent
the forces acting on the two phases. The first term on the right-hand side of
the equations (2.256) and (2.257) represents the net pressure force acting on the
individual phase, while the second term is the gravitational force. The third and
fourth terms represent the shear stresses of the tube wall Wa;g acting on the
individual phases and on the circumference of the interface to the second phase
Iface . The parameters UWa;g and UWa;f are the circumferential wall portions that are
wetted by the corresponding phase. The penultimate term on the right-hand side
of the equations (2.256) and (2.257) represents the additional momentum (at the
interface) into the adjacent phase by means of mass transfer with the second phase.
The mass exchange through the interface into the adjacent phase has an interface
velocity of wIface;f or wIface;g . The last term represents a “virtual mass term,” which
is not included in the conservation equations without mass transfer via the interface.
The constant b varies with the flow pattern. In its simplest form—as implemented
in the simulation program RELAP—the constant takes the value of 0.5 for the
bubble flow and is identical to zero for the stratified flow (Levy 1999). The different
102 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
relationships for calculating the virtual mass term are discussed in detail in Ishii
and Mishima (1984). At this point it should be noted, however, that this term is
only meaningful for very fast changes in the flow (e.g., critical flows)—it serves to
stabilize the numerical solution of the balance equations.
The energy balances of the two phases on the basis of total enthalpy result in the
following:
@ 1 @
%f .1 ˛ fg / hf ;tota C %f .1 ˛ fg / hf ;tota wf A
@ A @x
00
qIface;f UIface q00Wa;f UWa;f
D q000
f .1 ˛ fg / C C 2ph hIface;f ;tota (2.258)
A A
@p UIface
C .1 ˛ fg / diss Iface wIface;f
@ A
@ 1 @
%g ˛ fg hg;tota C %g ˛ fg hg;tota wg A
@ A @x
q00Iface;g UIface q00Wa;g UWa;g
D q000 ˛
g fg C C C 2ph hIface;g;tota (2.259)
A A
@p UIface
C ˛ fg diss Iface wIface;g
@ A
with the total enthalpy, written for the liquid phase
w2f
hf ;tota D hf C gx sin ' (2.260)
2
The first term on the right-hand side of the equations (2.258) and (2.259)
represents the internal heat production due to the volumetric heat sources q000 f and
q000
g . The second term represents the heat flow via the interfacial perimeter, UIface . The
third term represents the heat flow passed to the phase in question (from the heated
portion of the tube circumference UWa;f or UWa;g wetted by that phase) and supplied
from the wall. The fourth term on the right-hand side is the energy supplied to the
adjacent phase with the mass flow that passes through the interface into the adjacent
phase. The fifth term represents the reversible work carried out by the expansion or
contraction of the phase. The last term represents the energy dissipation between the
two phases. diss is the part of the interfacial energy dissipated that is converted into
the gas phase.
It should be noted at this point that the same circumference of the interface UIface
should be used for both the momentum and the energy balance.
Relationships for the individual exchange terms on the right-hand side of the
momentum and energy balances can be found, e.g., in Levy (1999) or Yadigaroglu
(1995).
2.7 Two-Phase Flow 103
Besides the above-mentioned models, there are still a number of hybrid flow
models. These include the variable density model (Bankoff 1960), the entrainment
model by Levy (1966) and the drift-flux model, which is credited to Zuber and
Findlay (1965), Wallis (1969), and Ishii (1977). The drift-flux model represents
a further development of the homogeneous model, whereby the different velocities
of the liquid and gas phases are taken into account. Some of these models, e.g.,
by Zuber and Findlay (1965) or Chexal et al. (1997) can also address a counter-
current flow of gas and liquid. The drift-flux model achieves better results than the
homogeneous model, especially at low velocities.
The drift-flux model developed by Chexal et al. (1997) is independent of the flow
pattern and therefore requires no flow pattern maps. The model was developed for
vertical as well as horizontal and inclined evaporator tubes and is suitable for the
entire pressure range. The use of this model, however, is complicated. A detailed
description of different drift velocity models can be found in Kolev (1986).
Additional information on one-dimensional multi-equation models can be found
in, e.g., Bouré and Delhaye (1982), Hetsroni (1995), and Yadigaroglu (1995), while
Lahey (2005) provides an overview of the topic of 3-dimensional simulation models
for two-phase flows.
In a single-phase flow, pressure loss can be predicted with a relatively high degree
of accuracy; but the same cannot be said for calculating pressure loss in a two-phase
flow. According to Mayinger (1982), one reason for this is the difficulty involved in
accurately measuring the pressure drop in a multiphase flow.
Approaches for predicting the fluid-mechanical energy loss of a two-phase
mixture are based on the findings regarding the single-phase flow—although in
addition to the influencing variables of the single-phase fluid on pressure drop
in the flow of a gas–liquid mixture, a further large number of fluid-dynamic and
thermodynamic parameters must be taken into consideration, such as different
densities and viscosities as well as slip between gas and liquid. Martinelli et al.
(1948) were the first who dealt with similar observations to calculate pressure drops
in a two-phase flow. They started with the idea that by introducing an additional
coefficient—the so-called two-phase multiplier ˚ 2 , the pressure drop in a gas–liquid
mixture could be ascribed to the pressure loss of a single-phase flow. Lockhart and
Martinelli (1949) later completed these deliberations.
According to Martinelli et al. (1948), the pressure drop in a two-phase flow can
be specified by the relationship:
dependent on the system pressure and the steam content of the gas–liquid flow (see
also Thom (1964)).
The fluid-mechanical energy loss due to friction is calculated for a single-phase flow
as per:
l mP 2Flux
pFric D Fric (2.262)
dhyd 2%
The friction coefficient Fric —itself a function of the Reynolds number Re and
the relative tube roughness—can be seen in the Moody diagram. The diagram is
subdivided into laminar and turbulent flow zones and the transition area between
these two zones. The friction coefficient Fric can be calculated for the fully
developed laminar tube flow by means of:
64
Fric D (2.263)
Re
Equation (2.263) is valid for Reynolds numbers of the working fluid water Re
2320.
In a fully developed turbulent tube flow, the following relationship is used to
determine the friction coefficient Fric :
1
Fric D (2.264)
dhyd 2
1:14 C 2 log
kR
where dhyd D din for a circular cross-section of the tube. The definition domain
of Eq. (2.264) does not, however, extend over the entire turbulent area of the tube
flow from which the laminar-turbulent conversion of the tube flow takes place. In
the relevant literature (Richter (1962), Kast (1996), Zoebl and Kruschik (1982),
or Truckenbrodt (1983)), the lower
limit
of the definition domain of Eq. (2.264) is
p
specified for water by Re Fric dhyd > 200.
kR
2
Friedel based the development of his equation on a database taken from the relevant literature—
this gave him 25000 measured values of two-phase flow pressure drops with which to work.
106 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
distinguishes between a vertical upward or a horizontal flow, on the one hand, and a
vertical downward flow, on the other.
According to Friedel, the two-phase multiplier for the frictional pressure drop of
a vertical upward or horizontal flow is as follows:
3:24 b2 b3
˚f20 ;Fric D b1 C 0:045
(2.266)
Frfg We0:035
fg
The following applies for the steam quality xPD , the Froude- Frfg , and Weber Wefg
numbers contained in equations (2.266) and (2.267).
mP g
xPD D (2.268)
mP g C mP f
mP 2Flux;compl
Frfg D (2.269)
g din %2
respectively
mP 2Flux;compl din
Wefg D (2.270)
%
2.7 Two-Phase Flow 107
To calculate the frictional pressure loss coefficient for the tube flow j;Fric Friedel
uses the relationship as per Techo et al. (1965), which is independent from the actual
roughness of the inner tube wall.
64
j;Fric D for Rej 1055
Rej
" #2
Rej
j;Fric D 0:86859 ln for Rej > 1055
1:964 ln.Rej / 3:8215
with j D f0 ; g0 .
It must nevertheless be noted at this point that for f =g > 1000 Friedel’s
relationship does not match the measured values at all well.
In Collier and Thome (1994), Collier and Thome specify values for the coeffi-
cient b of a 90ı bend depending on the relationship rbend =din .
According to Chisholm, a generalized relationship of the coefficient b results in
the following:
2:2
bD1C
l (2.272)
Fric 2C rbend
din
din
Fric is the tube friction factor for single-phase fluid-mechanical pressure loss. In the
calculation of the single-phase pressure drop at a tube bend, the loss is compared
with the fluid-mechanical energy loss in a straight tube of the same diameter. The
108 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
50
length/diameter l/d in
Equivalent 40
30
20
10
0 2 4 6 0
Relative radius rbend /din
Fig. 2.27 The ratio of equivalent length to diameter of a straight tube, with the same pressure loss
as a 90ı tube bend with the relative radius rbend /din (Muschelknautz and Wellenhofer 2006)
conversion is done with the help of the equivalent length l/din . The two-phase fluid-
mechanical pressure drop in a tube bend is thus:
2 l mP 2Flux vf 2
p2ph;bend D p1ph;bend ˚bend D Fric ˚bend (2.273)
din 2
Figure 2.27 shows the ratio of equivalent length to the diameter of a straight tube
with the same pressure drop as a 90ı tube bend with the relative radius rbend /din .
According to Muschelknautz and Wellenhofer (2006), the coefficient b in the
angle range 90ı < 'bend 180ı of the tube bend is determined with the aid of
Eq. (2.274).
2:2 l 0
bD1C bend;90 (2.274)
l rbend lbend;'bend
Fric 2C
din din
For tube bends where 'bend < 90ı , Muschelknautz and Wellenhofer (2006)
recommend using the value of the coefficient b where 'bend D 90ı .
Recent work on two-phase pressure loss in tube bends can be found, for example,
in Azzi et al. (2000), Azzi et al. (2003), and Azzi et al. (2005).
The calculation rules for determining the fluid-mechanical energy losses of other
molded parts such as tube expansions or tube constrictions can be found in the
relevant literature, e.g., Schmidt and Friedel (1997), Collier and Thome (1994),
Wallis (1969), Delhaye et al. (1981b), Azzopardi et al. (1987), or Tong and Tang
(1997).
2.7 Two-Phase Flow 109
Figure 2.28 shows a vertical evaporator tube, heated uniformly over its entire length.
A subcooled liquid is fed into the tube from below. The heat flow density qP is
selected in such a manner that complete evaporation of the working medium occurs.
In energy and process engineering, evaporation occurs mostly in forced convec-
tion, where the buoyancy of the bubbles and pressure difference acting along the
heating surface overlap. Flow pattern occurring during evaporation and the heat
transfer regions associated with these patterns can be seen in Fig. 2.28.
Convective heat
Superheated transfer to the steam
steam
Dryout
Churn
flow
Plug Saturated
flow nucleate boiling
Bubbly
flow
Subcooled boiling
Subcooled Convective heat
liquid transfer to the liquid
Fig. 2.28 Flow patterns and associated heat transfer regions in a vertical, heated tube
110 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
As can be seen in Fig. 2.28, a subcooled liquid enters the vertical evaporator
channel from below and single-phase convective heat transfer to the fluid then takes
place. If the channel wall is sufficiently overheated in comparison to the saturation
temperature of the working fluid, this will result in the possible occurrence of
2.7 Two-Phase Flow 111
bubbles on the tube surface, at which point subcooled boiling will take place. Only
a few bubbles are created at first, so the major portion of the heat flow is still
transmitted by convection on the liquid between the bubbles. Relevant literature
describes this procedure as “partial subcooled boiling.” As the wall temperature
increases, the number of bubbles increases and the convectively transferred heat
flow decreases. With increasing bubble density, the convectively transferred heat
flow is negligible and we now find ourselves in the “fully developed subcooled
boiling zone”; here flow rate and subcooling have only a dwindling influence on
the wall temperature.
Jens and Lottes (1951) collected all the various measurement values that were
available for fully developed subcooled boiling in a vertical upward flow of water—
and obtained the following empirical relationship for the temperature difference
between wall temperature and saturation temperature:
Equation (2.275) is valid for high pressures and large heat flow densities.
At low pressures (< 50 bar) and low heat flow densities (< 300 kW/m2 ) the
equation modified by Thom et al. (1965) provides more accurate values.
The heat transfer coefficient in the subcooled boiling zone—from the value of
the single-phase flow to that of saturated boiling—is calculated according to the
following relationship:
qP
˛D (2.277)
#Sat #Bal C .#Wa #Sat /
The values used in Eqs. (2.275) and (2.276) should be inserted for .#Wa #Sat /.
The fluid temperature #Bal is calculated on the basis of the energy balance.
As can be seen in Fig. 2.28 nucleate boiling of the saturated liquid follows
the subcooled boiling zone. Definition-wise, saturated boiling begins when the
calculated steam quality becomes zero—assuming, however, a thermodynamic
equilibrium. Here the heat transfer mechanism is independent of the mass flow
rate and the local enthalpy—so it is identical to that of subcooled boiling. Equa-
tion (2.277) can therefore also be used for nucleate boiling, if the fact that
the fluid has already reached the saturation temperature is taken into account.
Equation (2.277) can thus be transferred to:
qP
˛2ph D (2.278)
.#Wa #Sat /
For calculating the temperature difference .#Wa #Sat / the equations (2.275)
and (2.276) can be used.
112 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
However, the pressure p should be inserted here in bar and the heat flow density
qP in kW/m2 . The equations (2.279) to (2.281) are valid in the pressure range p 68
bar—they give us a heat transfer coefficient ˛2ph in kW/(m2 K). For pressures greater
than 68 bar, the values for p D 68 bar should be used.
In a heated evaporator tube, the wetting of the tube surface can no longer
be maintained after a certain steam mass fraction has been exceeded. When this
happens, the so-called boiling crisis takes place, leading to a deterioration of the heat
transfer and thus to a decrease in the heat transfer coefficient. An abrupt increase in
the wall temperature occurs in systems with an impressed heat flow, as found in
nuclear or electric heating or in heat supplied by radiation. In contrast, a drastic
decrease in the heat flow density occurs when the boiling crisis is exceeded in
systems with an impressed wall temperature, like heat exchangers or condensers.
These phenomena are collectively known as “critical boiling conditions.” We
generally understand this as being the lowering of the heat transfer coefficient after
a critical heat flow density has been exceeded.
Basically, we distinguish between two types of boiling crisis:
• Film boiling (Boiling Crisis Type 1 or Departure of Nucleate Boiling—DNB):
Here the liquid forms the continuous phase. A vapor film separating the water
from the wall is formed on the wall when the critical heat flow density has
been exceeded. The heat transfer coefficient falls sharply due to the poor thermal
conductivity of the vapor. The smaller the steam volume fraction, the greater the
critical heat flow density.
• Drying out of the heating surface (Boiling Crisis Type 2 or Dryout):
If there is a high steam volume fraction, the remaining water film is ripped
from the wall, or it simply dries out. In this case the steam forms the continuous
phase. The heat transfer coefficient does not fall as sharply, since a greater
cooling effect is provided by convection due to the high steam mass fraction.
2.7 Two-Phase Flow 113
If there is any further reduction of the heat flow density, the boiling crisis can
be seen to migrate to locations with a higher steam content. Here water drops are
deposited on the tube wall, which is why this process is also known as “Deposition
Controlled Burnout.” Like the Boiling Crisis Type 2, this is associated with the
drying out of the heating surface.
A more detailed description of the physical processes that lead to boiling crises
can be found, for example, in Stephan (1988), Collier and Thome (1994), Baehr and
Stephan (1994), and Mayinger (1982).
A great variety of empirical correlations developed to determine critical heat
flow density can be found in the relevant literature. Examples here are:- Biasi
et al. (1968), Katto (1979), Katto (1981), Katto (1982), Katto and Ohno (1984),
Katto (1980a), Katto (1980b), as well as Shah (1979b) and Shah (1980). Many of
these, however, are only valid within a narrow range of parameters—and only a
few are actually based on a conceptual model of the nature of the boiling crisis.
Due to the different types of mechanisms which can lead to a boiling crisis, it
is advantageous if different equations are used for both the Dryout zone and the
Departure of Nucleate Boiling zone. According to Drescher and Köhler (1981),
there is no need for individualized calculation rules for the Deposition Controlled
Burnout zone, since it can be calculative integrated into the zone of the Boiling
Crisis Type 2 with sufficient accuracy.
After completing an exhaustive comparison of experimental data, Drescher and
Köhler recommended for the calculation of the Boiling Crises Types 1 and 2 the
relationships of Doroshchuk et al. (1975) and Kon’kov (1965).
According to Drescher and Köhler (1981), the equation developed for practical
use by Doroshchuk from his tables of values has proven to be superior to the other
rules for calculating the DNB—despite minor losses in accuracy.
mP Flux p
ln 0:68 0:3 ln.qPcrit / C ln.b/
1000 pcrit
xPDcrit D (2.282)
mP Flux
1:2 ln C 1:5
1000
respectively
0:68 p
1:2xPD 0:3
mP Flux pcrit
qPcrit Db e1:5xPD (2.283)
1000
and qPcrit is in kW/m2 . The region of validity of the equations (2.282) and (2.283) is
given by:
The relationship for Boiling Crisis Type 2 loses its validity at low heat flow
densities. According to Kon’kov (1965), the critical steam mass fraction and the
critical heat flow density for tubes with a vertical upward flow are
or
with the heat flow density qP in kW/m2 and the pressure p in bar.
The definition range of the equations (2.284) to (2.289) is given by:
Since the nature of the boiling crisis cannot often be clearly established, Drescher
and Köhler proposed to select the range in such a way that both values are calculated
for the critical heat flow density and the smaller of the two values is considered valid.
When using the Kon’kov relationship up to the intersection of the calculated critical
heat flow densities by means of the Doroshchuk equation, the definition range will
2.7 Two-Phase Flow 115
2500 2500
a) b)
2
2
mFlux= 500 kg/m2 s mFlux= 500 kg/m2 s
mFlux= 1000 kg/m2 s mFlux= 1000 kg/m2 s
2000
mFlux= 1500 kg/m2 s
2000 mFlux= 1500 kg/m2 s
mFlux= 2000 kg/m 2 s mFlux= 2000 kg/m 2 s
1500 1500
1000 1000
500 500
p = 150 bar p = 75 bar
Tube: Ø 57 x 5 mm Tube: Ø 57 x 5 mm
0 0
-0.2 0.0 0.2 0.4 0.6 0.8 1.0 -0.2 0.0 0.2 0.4 0.6 0.8 1.0
Critical steam mass fraction [-] Critical steam mass fraction [-]
p < 5 bar
mP Flux < 300 kg/(m2 s)
10 < l=din < 100
0:2 < xPinl < 0
(according to Auracher et al. (1996)), the following relationship can be used for
determining the critical heat flow density as per Alad’yev et al. (1969):
0:8
mP Flux
qPcrit D b .1 2xPD inl / (2.290)
l=din
hD hSat
cpD D (2.292)
#unbal
According to Köhler (1984), the actual mass flow steam content xPD act is
hBal hf
xPD act D (2.296)
r C cpD #unbal
Here hBal is the specific enthalpy of the flow, determined with the aid of an energy
balance.
P O;a
qA
hBal D C hinl (2.297)
mP Flux A
2.7 Two-Phase Flow 117
hBal hf
xPD Bal D (2.298)
r
For the calculation of the two-phase heat transfer coefficient, Köhler (1984)
recommends Eq. (2.189), which is used for single-phase convective flow (as per
Gnielinski) disregarding the correction factor K1 . Here the two-phase Reynolds
number Re2ph is calculated with the average two-phase flow velocity (disregarding
the slip) as expressed as follows:
mP Flux dhyd %g
Re2ph D xPD act C .1 xPD act / (2.299)
g %f
To calculate the heat transfer coefficient in Eq. (2.189), the average boundary
layer temperature must be inserted as the reference temperature for the physical
properties. This temperature corresponds to the arithmetic mean of the wall and the
steam temperature. The density %g in Eq. (2.299) refers, however, to the actual steam
temperature.
The model described above is only valid if the thermodynamic non-equilibrium is
fully developed, i.e., if the point of minimum heat transfer xPD ˛min has been reached.
The laws of single-phase heat transfer again apply for the mass flow steam
content xPD > xPD lim .
According to Auracher et al. (1996), we may assume that a thermodynamic
equilibrium is present in the flow, near the critical point. This means that the
determination of the heat transfer coefficient by means of the relationships for a
thermodynamic non-equilibrium can be omitted in this zone.
Figure 2.30 shows a vertical evaporator tube with an upward flow. The heat
transfer coefficient in the single and multiphase zones of the working fluid is plotted
against pressure and enthalpy. The calculation of the heat transfer coefficients was
carried out at a mass flux of mP Flux D 1000 kg/(m2 s) and a heat flow density of
118 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
din = 20 mm
mFlux = 1000 kg/m2 s
q = 200 kW/m2
106
Heat transfer coefficient [W/m 2 K]
105
104 0
20
0
15 r]
103 [b
a
1 0 00 re
1 50 0 0 ssu
10 Pre
2000
Enthalp 2 5 00
y [kJ/kg
] 3 00 0 50
Fig. 2.30 Heat transfer coefficients as a function of pressure and enthalpy for a vertical tube
(Walter 2001)
qP D 200 kW/m2 . The inner diameter of the tube measured din D 20 mm. Figure 2.30
clearly shows the strong decrease of the values for the heat transfer coefficient after
passing the place of boiling crisis zone has occurred. The value of the heat transfer
coefficient increases again between the location of minimum heat transfer and that
of pure steam convection.
Heat transfer relationships are usually designed for a vertical evaporator tube with
an upward flow. It is therefore important to check their validity for a horizontal or
inclined tube in each individual case. Theoretical and experimental investigations
for single-phase convection were performed by Petukhov et al. (1974) (et alia). The
influence of tube position on the place of boiling crisis has been investigated, for
example, by Wallis (1969), Watson et al. (1974), Kefer (1989a), Kefer et al. (1989b),
and Hein et al. (1982).
According to Hein et al. (1982) and in contrast to the vertical tube, models
to calculate heat transfer for horizontal or inclined tubes cannot be specified, i.e.,
models that are not independent of the dimensions and the physical characteristics
of the evaporator tube.
As mentioned above, the tube wall temperature in vertical channels does not
change in the subcooled and saturated boiling regions. According to Bier et al.
(1981), only very small differences in temperature (or none at all) also occur over the
2.7 Two-Phase Flow 119
circumference of horizontal and inclined tubes, since the physical processes which
take place during boiling are not significantly affected by the flow. This was also
confirmed by Kefer (1989a), although the parameters chosen in this study led to
strong stratification effects in the flow. Kefer (1989a) found a good match between
the empirically determined temperature values on the inside of the tube and the
values calculated with the equation of Jens and Lottes (1951).
A boiling crisis occurs in horizontal or inclined tubes due to the phase separation
caused by gravity at lower steam mass fractions than those in vertical evaporator
tubes. The location of the boiling crisis is found mostly on the upper surface of the
tube, while the underside is still wetted. Stratification effects in the two-phase flow
of a horizontal tube can be specified by a dimensionless parameter in accordance
with a conceptual model by Wallis (1969). The so-called Froude number—defined
as the ratio of the inertial force to gravity in the flow—is formed with this evaluation
of the flow conditions. If we form this ratio using the critical steam fraction xPDcrit at
which a boiling crisis would occur in a vertical tube, we obtain the Froude number
modified by Kefer (1989a):
xPDcrit mP Flux
p
%g
Fr D q (2.302)
g din %f %g cos '
Here ' is the angle of ascent which the evaporator tube creates with the
horizontal.
According to Hein et al. (1982), the angle of inclination of the tube has no
influence on the location of the boiling crisis if the Froude number is Fr 10.
With Froude numbers of less than 3, however, the influence of the tube inclination
is strong; the boiling crisis in horizontal tubes occurs on the upper surface of the
evaporator tube at very low vapor mass fractions, while the tube’s lower surface
remains wetted until the water has almost completely evaporated. For this reason,
it is recommended that Froude numbers higher than Fr D 10 should be selected in
order to avoid stratification.
In his work, Kefer (1989a) specifies an empirically determined relationship for
calculating the difference between the critical steam mass fractions on the upper and
lower surfaces of the evaporator tube with the aid of Eq. (2.302):
16
xPDcrit D (2.303)
.2 C Fr/2
The critical steam mass fraction used in Eq. (2.302) can also be seen as an average
of the values at which the upper and lower tube surfaces dry out. The critical steam
mass fractions on the upper xPDcrit;o or lower tube surfaces xPDcrit;u can therefore be
calculated as follows:
xPDcrit
xPDcrit;o D xPDcrit (2.304)
2
and
xPDcrit
xPDcrit;u D xPDcrit C (2.305)
2
In the case of xPDcrit;u > 1, it must be replaced by xPDcrit;u D 1.
In order to calculate the heat transfer in a horizontal or inclined evaporator tube
with an upward flow when the Boiling Crisis Type 2 is exceeded, we must first use
the relationships (2.302), (2.304), and (2.305) to determine the Froude number Fr
and the critical steam mass fraction on the upper and lower surfaces of the evaporator
tube.
Calculation of the heat transfer is then carried out subject to the following
conditions:
• For Fr 10 or xPDcrit;u xPDcrit;o 0:1 the heat transfer is not dependent on the
angle of inclination of the tube, while a pure droplet flow is present for xPD >
xPDcrit;u . The calculation of these two regions is in accordance with the above
procedure for vertical evaporator tubes.
• The calculation of the heat transfer in the regions Fr < 10 and xPDcrit;o xPD
xPDcrit;u is according to Kefer (1989a) and Hein et al. (1982) not independent of the
tube wall thickness, the tube material, and the wetting ratio on the inner tube wall.
For this region, Kefer and co-authors suggest extensive calculations involving the
solution of Fourier’s two-dimensional differential equation for heat conduction.
This procedure for determining the heat transfer coefficient is entirely feasible
for a stationary calculation or for a detailed analysis of individual tubes or sets
of tubes, but it is not suitable for a dynamic simulation due to the high degree
of computational complexity. Walter (2001) proposes in his work that the heat
transfer coefficient for the boundary limits Fr D 10 and xPDcrit;u xPDcrit;o D 0:1
should be determined in accordance with the method described above for vertical
evaporator tubes—and that in the subsequent calculation the smaller of the two
values for the heat transfer coefficient in each case should be used.
of the transport equation at our disposal. For the continuous gas phase, however, it
is more convenient to choose the Euler approach for the equations of motion. The
mathematical description of the particle phase can, however, depend on whether
detailed information about the particles, e.g., particle trajectories, is required as a
result of simulation. The different approaches for disperse gas–solids flow can be
divided into two groups:
- Euler-Euler Approach (two-fluid model)
Here the two phases are considered as being separate continua. The particle phase
is considered as “the second heavy gas phase,” and a coupling of the balance
equations of the two phases exists.
- Euler–Lagrange Approach
Here the continuous phase is described by the Euler approach and the disperse
phase by the analysis of individual particles (Lagrange).
These groups are dealt with in more detail below.
Two-Fluid Model
Based on the continuity equations for each phase of the two-phase flow gas-liquid
(Eq. (2.254)), the mass balance for the gas phase of the gas-solids flow becomes
@ @
Œ.1 "P /%g C Œ.1 "P /%g wg;j D P (2.306)
@ @xj
@ @
."P %P / C ."P %P wP;j / D P (2.307)
@ @xj
wg;j and wP;j designate the time-averaged velocity components of the gas or particle
phase. P describes the volumetric mass transfer rate between the disperse and
the continuous phases based on physical and chemical reactions. The modeling of
this term is carried out using, e.g., the reaction models for combustion. If no mass
transfer takes place between the two phases (e.g., in the case of the inert material
in fluidized-bed combustion or a monodisperse/polydisperse nonreactive, two-phase
flow), then P D 0. The porosity "P for the disperse phase can be calculated from
the ratio of the volume occupied by the particles to the total volume.
VP VP
"P D D (2.308)
Vcomp VP C Vg
122 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
The following applies for the volume fractions of the particle and gas phases:
According to Lendt (1991) or Schiller (1999), the momentum balance for the gas
phase of a turbulent flow is obtained from the Reynolds equation (disregarding the
density fluctuations) and becomes:
@ @ @p
.1 "P /%g wg;i D .1 "P /%g wg;i wg;j .1 "P /
@ @xj @xi
"
@ @wg;i @wg;j
C .1 "P / C
@xj @xj @xi
#
2
.1 "P / divwEg ıij .1 "P /%g w0g;i w0g;j
3
w0g;i w0g;j describes the Reynolds stresses (see Sect. 2.2.8); FPg;i describes the
momentum coupling term between the disperse and the gas phases.
The following applies for the momentum balance of the particle phase:
@ @ @p
."P %P wP;i / D ."P %P wP;i wP;j / "P "P %P gi C FPg;i C
@ @xj @xi
@ eff @wP;i @wP;j
"P C wP;i P (2.311)
@xj P;turb @xj @xi
The term eff =P;turb is derived from turbulence modeling. The effective viscosity
is calculated from the sum of the turbulent and the laminar viscosities: eff D
lam C turb . The derivation of the momentum balance for the disperse phase
from Newton’s equation of motion for a particle can be found in Durst et al.
(1984) or Schiller (1999) (et alia). The equations (2.307) and (2.311) represent the
continuity and momentum balances for a particle size class. A further set of mass
and momentum balances must be solved for each additional particle size class.
If we disregard the contributions of kinetic and potential energies in the flowing
gas, we can use the relationship
p
hDuC
%
2.7 Two-Phase Flow 123
and the first law of thermodynamics (which is applied to a control volume) to write
the balance equation for the spec. enthalpy of the gas flow:
The first term on the right-hand side of the energy balance describes the
convective transport of energy; the second term is the molecular heat exchange
via the volume boundary. According to Bird et al. (1960), in a multicomponent
system (e.g., like the exhaust gas of a combustion process), the net flux density
from the molecular heat exchange consists on the energy transport processes by
heat conduction (e.g., described by Fourier’s heat conduction law), the diffusive
mass transport and the diffusion thermals.3 The third and fourth terms represent the
transformation of the work done into energy by pressure and friction on the control
volume surface; the fifth term represents the reversible work done by contraction
and expansion. The last term in Eq. (2.312) refers to the replacement term for the
heat sources and sinks. This term includes, for example, the transport of energy due
to the radiation exchange with the environment, or the conversion of chemically
bound energy into thermal energy.
In the simulation of combustion chambers (according to Müller (1992)), the
fractions involved in the transport of energy by diffusive mass transport and thermal
diffusion are negligible compared to the heat conduction. The conversion of the
reversible and irreversible mechanical work in energy (third and fourth terms) is
only of significance in highly viscous fluids with great changes in velocity or
in flows with high Mach numbers—according to Müller (1992), Brauer (1971),
or Schiller (1999), this conversion can also be disregarded for the simulation of
combustion processes in a steam generator.
If we replace the instantaneous values for velocity and spec. enthalpy by the
average and fluctuation values, and substitute the molecular energy transport (based
on heat conduction) by the relationship for Fourier’s heat conduction, the energy
balance equation (2.312)—after incorporating the above simplifications—becomes
!
@ @ @ @h
.%h/ D .%wj h/ C %w0j h0 C S (2.313)
@ @xj @xj cp @xj
where
ˇ
@h ˇˇ
cp D
@T ˇpDconst:
3
Also referred to as Dufour’s energy flux density. It is based on the exchange of energy between the
molecules of the individual components when compensating for differences in concentration—it
also occurs in isothermal flows.
124 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
As in the case of momentum balance, the term %w0j h0 is also derived from
turbulence modeling. It describes the much more powerful enthalpy transport
relative to the molecular exchange process in a turbulent flow.
Taking porosity "P into account, we can now write the energy balances for the gas
and disperse phases of the two-fluid model in similar way to the simplified balance
equation of the gas flow Eq. (2.313):
Gas Phase
@ @
.1 "P /%g hg / D .1 "P /%g wg;j hg / (2.314)
@ @xj
" #
@ g turb hg
C .1 "P / C C S;g
@xj cp;g g;turb @xj
Particle Phase
!
@ @ @ turb hP
"P %P hP D "P %P wP;j hP C "P C S;P (2.315)
@ @xj @xj P;turb @xj
The source terms for the gas phase S;g and the disperse phase S;P consist
of, e.g., the energy source on the basis of chemical reactions in the gas phase, of
the phase change between, e.g., coal particles and the gas (pyrolysis of volatiles,
evaporation of the residual moisture, etc.), and of the convective and radiative heat
exchange between the two phases and the combustion chamber wall. Relationships
for the source terms (e.g., convective heat exchange, exchange of energy by means
of a phase change, or a radiant heat exchange) can be found in, e.g., Görner (1991),
Epple (1993), Fischer (1999), or Schiller (1999).
If there are several size classes of particles given, the energy balance of the
disperse phase in Eq. (2.315) must be solved for each of the size classes.
In contrast to the Euler approach, in which the calculation of the motion of the
continuous fluid is carried out using the Navier–Stokes equation of motion, the
Newtonian motion approach is used in the Lagrangian description of particle
motion. The change in the particle momentum is therefore equal to the sum of the
2.7 Two-Phase Flow 125
d wEP X
mP D FEi (2.316)
d i
According to Görner (1991), the following forces are mainly taken into
account:
– Drag force:
This is caused by the average particle and gas velocity and is the force
experienced by a particle as it moves with a speed relative to a carrier medium.
If the particle is slower than the carrier medium, the particle is accelerated. If the
particle moves more rapidly than the surrounding fluid, a delay of the particle
occurs. In general, resistance can be specified as follows:
1 ˇ ˇ
FEP;drag D dP2 %g cdrag ˇwEP wEg ˇ wEP wEg (2.317)
8
If a laminar, creeping flow exists around the particles (very small particle
Reynolds numbers), then the inertia forces (vs. the frictional forces) can be
disregarded and the following analytical solution for the drag coefficient cdrag
of a sphere can be expressed (Stokes 1851):
24
cdrag D (2.318)
ReP
24
cdrag D 1 C 0:15 Re0:687
P (2.320)
ReP
provides in this transition zone good results up to the Reynolds numbers ReP <
1000. In the Newton range of 1000 < ReP < ReP;crit , the drag coefficient virtually
remains constant at the value cdrag 0:44. On reaching the critical Reynolds
number of ReP;crit 2:5 105 the resistance factor decreases sharply—this is
caused by turbulent-laminar conversion. In the supercritical (turbulent) range
(ReP;crit > 4:0 105 ), cdrag again increases due to the enlargement of the wake
126 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
zone. Clift et al. (1978) modified the relationship of Schiller and Naumann (1933)
for the use with higher Reynolds numbers up to ReP 3:0 105 .
24 0:42
cdrag D 1 C 0:15Re0:687 C (2.321)
ReP P
1 C 4:25 104 Re1:16
P
In Odar and Hamilton (1964), Odar and Hamilton specify a relationship for
calculating the coefficient cvirt as a function of the particle Reynolds number
ReP and the so-called acceleration number avirt . avirt may be equated to the value
of 0.5, if the particle approximates a sphere in shape.
– Buoyancy:
%g dP3
FEP;bouy D mg gE D gE (2.323)
6
– Gravitational force:
%P dP3
FEP;grav D mP gE D gE (2.324)
6
A mass equivalent value must be inserted for the particle diameter of irregularly
shaped particles.
– Turbulent interaction force with the gas:
According to Görner (1991), this is mainly contained in the resistance force as a
result of the relative velocity between the gas and the particle phase. However, it
is factored out there because of its stochastic nature and has to be described using
separate model laws (Görner 1991).
2.7 Two-Phase Flow 127
– Basset force:
This is caused by the transient acceleration of the lagging boundary layer
development on the particle surface. During an acceleration or deceleration
procedure, the shape and volume of the boundary layer is subjected to permanent
change. The Basset force thus depends on the temporal development of relative
motion (Smoot and Pratt 1979). It is therefore also referred to as “History Force”.
The Basset force can be disregarded in the case of large density differences
between the gas and particle phases. An upper limit of dP 0:05 m is specified
by Thomas (1992), up to which the Basset force has significant influence on
particles with a density of 1000 kg/m3 . According to Görner (1991), this term
will disappear even if stochastic (turbulent) particle movements are addressed—
movements which are homogeneous if they are time-averaged.
R @wEg @wEP
p d 0
aBas dP2 %g g 0
@ @
FEP;Bas D p (2.325)
4 0
and
p
aSaf D 0:0524 b ReP for ReP > 40 (2.328)
with
ˇ ˇ
ˇ dwx ˇ dP
ˇ
bDˇ ˇ and n D y; z: (2.329)
ˇ
dn 2jwEg wEP j
– Magnus force:
This is caused by the self-rotation of the particle-induced force. The Magnus
force not only depends on the relative velocity between the gas and particle
phases, but also on the rotational speed of the particle (Smoot and Pratt 1979).
A non-uniform pressure distribution is created on the particle surface by relative
128 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
with the relative angular velocity ˝E rel D ˝E g ˝E P . According to Lun and Liu
(1997) (et alia), the Magnus coefficient aMag is calculated by means of
d P j˝E j
aMag D ˇ relˇ for ReP 1 and (2.331)
ˇwEg ˇ
d P j˝E j
aMag D ˇ relˇ 0:178 C 0:822 Re0:522 for 1 ReP (2.332)
ˇwEg ˇ P
In the case of small particle diameters, the Magnus force is only of minor
influence and can be disregarded, as per Cherukat et al. (1999).
– Force due to a pressure gradient:
If pressure gradients are present in a flow, the pressure forces can no longer be
regarded as being isotropic. The pressure forces acting on the particle no longer
compensate against each other—so we must calculate with a pressure force that
is changeable over the particle surface. The total force is the result of integration
via the pressure acting on the entire surface.
mP
FEP D 5 p (2.333)
%P
Dodemand et al. (1995) studied the influence of the pressure gradient, virtual
mass force, and Basset force on the velocity ratio of the fluid and the disperse
phase. The momentum balance for small oscillatory perturbations around a stability
point was linearized. Dodemand et al. (1995) showed that the influence should not
be disregarded when the ratio of the particle’s mass flow density to the mass flow
density of the gas phase is small. To calculate oil and pulverized coal combustion,
however, only buoyancy force, drag force, and gravitational force have a significant
effect on the trajectory of the particle. The equation of motion of a particle in
the Lagrangian description therefore results in the following, disregarding all other
terms:
" #
dwP;i 3 g cdrag ReP %g
mP D mP .wg;i wP;i / C gi 1 (2.334)
d 4 %P dP2 %P
4%P dP2
P;relax D (2.335)
3g cdrag ReP
Particle relaxation time is the time a particle requires to reach 63.2 % of its
steady-state speed and provides a measure of the particle’s ability to adapt to a
change in the fluid’s velocity.
Equation (2.336) represents an initial-value problem, one which can be solved
through various approaches such as the one-step approach (e.g., the polygo-
nal traverse draft procedure of Euler–Cauchy or the Runge–Kutta method), the
multi-step approach (e.g., the explicit Adam–Bashforth procedure or the predictor-
corrector procedure of Adams–Moulton), extrapolation procedures (e.g., according
to Bulirsch–Stoer–Gragg), or semi-analytical methods. Multi-step procedures first
require the solution of the differential equation of several previously calculated
steps, which themselves must be determined by means of a one-step procedure.
These multi-step procedures can therefore only be used to a limited extent to
solve the equation of motion for the particle. Extrapolation procedures require high
computing time, so they are generally not used for the calculation of two-phase
flows. For further reading on the one-step and multi-step procedures, please refer
to, e.g., Stiefel (1970), Ames (1977), Press et al. (1992), and Dahmen and Reusken
130 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
dxP;i
wP;i D (2.338)
d
using a simple difference method
The coupling of the continuous and disperse phases takes place in the source
and sink terms, which have to be implemented into the transport equations of
both phases. The changes in the balance variable of a particle P between the
reference points are known from the calculation of particle trajectories. From this,
we can determine the fraction of the change Prel which has an influence on the
transport properties of the continuous phase. Here the change in the balance variable
of a particle P within a control volume CV of the continuous phase must be
determined.
Figure 2.31 shows the trajectory of a particle with four reference points in a
2-dimensional computational grid for the continuous gas phase. CVi1 to CViC1
designate the control volumes of the gas phase, while the numbers 1 to 4 designate
the reference points of the disperse phase. As is apparent from the illustration, the
reference points of the particle trajectories lie within the control volumes of CVi1
to CViC1 . For the control volume i, the proportion of the change in the balance
variable of the particle should be determined on the source term. Here it is necessary
to determine the intersection points of the particle trajectory with the edges of the
control volume. The change in the balance variable Prel is split linearly according
to the distance covered in the individual volumes. The proportion of the individual
2.7 Two-Phase Flow 131
l1-2
l1-2
l1-1’ l1’-2 l3 l3
-4
-3
’
2 l3
’-4
1 1’ 3
3’
CVi-1 CVi CVi+1
4
Fig. 2.31 Determination of particle balance variable fractions Prel in a control volume
particle size in the size class k at the source term of the control volume i is
If we describe m and n as two consecutive reference points and load the trajectory
with a particle stream NP P;j , we can write Eq. (2.340) as follows:
X lCV
SP;kj D NP P;j mn
P;mn
rel
(2.341)
lmn
lCV
mn denotes the distance between the reference points m and n, which lies within the
control volume i. The summation of all the source terms in a control volume created
by individual particle trajectories provides the entire balance variable exchanged
with the continuous phase.
" #
X X lCV
SP D NP P;j mn
P;mn
rel
(2.342)
j in CV
lmn
With regard to program development, the two-fluid model has a big advantage
over the Euler–Lagrange approach, since the general transport equation is valid
for both phases and—after slight modification—individual subprograms can be
used for the second phase. The two-fluid model has an advantage over the Euler–
Lagrange approach in all cases where a high particle load is present and where
high porosity of the flow plays a dominant role. Less computation time is also
required for convergence by using the two-fluid model, because fewer transport
132 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
equations have to be solved for the additional particle collective. If, however, several
particle size classes have to be calculated, the advantage of faster computation is
again weakened, because an individual balance equation must be solved for each
class. According to Durst et al. (1984), the two-fluid model is very sensitive to
the discretization of the computational grid, which should consequently be very
finely divided. The numerical diffusion in the two-fluid model leads to divergences
in the results for the Euler–Lagrange approach—but this causes no problems in the
calculation of the particle trajectories. A higher-order discretization for the particle
phase can help here and according to Crowe et al. (1998), this can also be achieved
by a finer grid.
One major advantage of the Euler-Lagrange approach lies in the calculation of
the particle trajectory and the location occupied by the particles—so more complex
combustion models can be implemented into the program and statements about
pollution processes on the walls of the boiler can be made (Müller and Heitmüller
1997). Large particle size distribution can also be examined, since each particle
trajectory can be calculated with another particle size. The disadvantage here is
that only a limited number of representative particles can be examined because
of the excessive computation time involved. The trajectories obtained in this way
are loaded together with a particle stream NP P;j which consists of nP;j particles
that all have the same starting point, diameter, and initial condition. We must use
these particles as a basis for concluding the behavior of all the particles. This is
why models to obtain a more exact description of particle dispersion have been
proposed in the past—and these models took into account a radial distribution of
the particles along the trajectory. To this end, Schulz (1994) recommends modeling
the distribution of solids along the trajectory by means of a Gaussian plume model,
which is used for the calculation of gas spreads. Another approach is based on the
Langevin equations (Sommerfeld et al. 1993b). Sommerfeld (1993a) provides an
overview of the various approaches.
Condensation occurs when steam (vapor) comes into contact with a surface the tem-
perature of which is below the saturated-steam temperature of the vapor. Figure 2.32
shows the two basic forms of condensation—film and droplet condensation—on a
flat wall or on the outer surface of a tube.
Dropwise condensation is characterized by drops forming on the surface of
a wall; these drops, however, do not form a continuous film and the surface of
the wall is not completely wetted. The “life cycle” of a drop begins with the
formation of microscopically small droplets on the wall surface. Depending on the
vapor condensation on the wall, these droplets grow very rapidly and coalesce with
adjacent droplets. The growth rate is mainly determined by the thermal resistance
in the drops and partly by the thermal resistance at the phase boundary with the
vapor (Baehr and Stephan 1994). The growth rate is therefore only dependent on
2.7 Two-Phase Flow 133
Surface
Vapor Vapor
Fluid film
Liquid
drops
the individual drop radius and the temperature difference between the two fluids.
This was confirmed in experiments carried out by Krischer and Grigull (1971).
Drop formation is not locally stationary, since the droplet which forms continuously
changes its position on the surface. After reaching a critical droplet size, the
adhesive forces are overcome by gravity or shear forces due to surface tension—
and the droplet flows away. A more or less dry surface remains, upon which a
new droplet can form, thus beginning a new cycle. In droplet condensation, the
vapor is in direct contact with the cold surface so the heat transfer coefficient is
significantly higher than in film condensation.4 Heat transfer coefficients that are
larger by a factor of four to eight have thus been measured in the condensation of
water vapor. Realizing droplet condensation, however, is technically very difficult.
Materials have been developed which favor droplet condensation—but, according
to Whalley (1996), they become less effective as the life of the component shortens.
This is why condensers are designed using the lower heat transfer coefficient for
film condensation. A detailed summary of droplet condensation can be found, for
example, in Baehr and Stephan (1994) or Collier and Thome (1994).
In film condensation, the condensate forms a continuous film on the cold
surface. The latent heat (heat of evaporation) of the vapor is transported to the cold
surface of the wall from the boundary layer between the gas and liquid phases of
the fluid (the place of origin of the condensate) by means of thermal conduction
in the film. Unlike droplet condensation, Nusselt (1916) developed a theory as
early as 1916 to calculate heat transfer in laminar film condensation—a theory
which was confirmed by experiments. In the relevant literature, this theory is known
as Nusselt’s falling film theory. It is described below, using the example of film
condensation on a vertical wall.
4
One exception is the condensation of metal vapors; due to the high thermal conductivity of the
liquid metals, the heat transfer processes for film and drops of condensation differ only slightly
(Tanaka 1981).
134 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
dz
dy
w(y)
(
p
p
z (
dz dy
Wa Sat
Nusselt created the following simplifications for the derivation of heat transfer
coefficients:
• The flow of the condensate film is laminar,
• the physical properties remain constant,
• subcooling of the condensate is disregarded,
• there is no momentum transfer through the film,
• the steam is stationary and exerts no resistance to the downward flow of the film
( @w
@y D 0), and
• heat transfer through the liquid film is purely by conduction.
As Fig. 2.33 shows, saturated steam at a temperature of #Sat is condensed on a
vertical wall with the temperature #Wa . A continuous film of condensate is formed.
It flows downwards under the influence of gravity. The thickness of the condensate
film •Ft constantly increases. A balance of forces in the direction of the z-coordinate
with the differential volume element shown in Fig. 2.33 gives us:
@ @p
C %f g D 0 (2.343)
@y @z
@p
%g g D 0 (2.344)
@z
Substituting the expression .@p=@z/ in Eq. (2.343) with Eq. (2.344) gives us
@
D .%f %g / g (2.345)
@y
2.7 Two-Phase Flow 135
As per Eq. (2.346) the shear stress at point y D •Ft is identically zero, which
corresponds to the above assumptions regarding steady-state steam. In the case of
the laminar flow of a Newtonian fluid, the shear stress can be substituted by
@w
D f (2.347)
@y
Inserting Eq. (2.347) into Eq. (2.346) and subsequent integration with the condi-
tion w D 0 at y D 0 gives us the velocity profile at any position y in the condensate
film:
.%f %g / g y2
wD •Ft y (2.348)
f 2
The local condensate mass flow density per unit of depth mP is specified by
Z•Ft
%f .%f %g / g •3Ft
mP D %f w dy D (2.349)
3 f
0
The increase of the condensate mass flow density with the film thickness
results in:
In the case of convective heat transfer that can be disregarded, a heat flow dQP D
rdmP must be dissipated by heat conduction to enable condensate mass flow dmP to
form; here r represents the heat of vaporization. Provided that a linear temperature
profile (corresponding to that in Fig. 2.33) exists in the condensate film between the
temperature of the saturated steam #Sat and the cooled wall temperature #Wa , the
heat flow to be dissipated on an element of length dz per unit of depth becomes
#Sat #Wa
dQP D f dz (2.351)
•Ft
With dQP D rdmP and Eq. (2.350), Eq. (2.351) can be converted to
As can be seen in Eq. (2.353), the condensate film thickness increases with the
fourth root of the run-length. The local heat transfer coefficient ˛ at a point z—due
to the conditional linear temperature profile—can be specified as
f
˛D (2.354)
•Ft
for the local heat transfer coefficient. The average heat transfer coefficient ˛ for a
wall with a height of H can be determined by integrating Eq. (2.355).
ZH " # 14
1 %f .%f %g / g 3f r 1
˛D ˛dz D 0:943 (2.356)
H f .#Sat #Wa / H
0
If we look at Eq. (2.356) in detail, we can see that the heat transfer coefficient
increases with decreasing temperature difference between the wall surface and the
saturation temperature of the steam .#Sat #Wa /, as well as a low wall height H.
The above relationship can also be used to calculate the condensate film on the
outer or inner wall of tubes, when the tube diameter is much greater than the film
thickness •Ft and the effects are minimal due to the steam shear stress.
Bromley (1952) extended the Nusselt theory by including the subcooling of the
condensate in the heat balance. To do this, the heat of vaporization r in Eq. (2.356)
must be replaced by the modified heat of vaporization
3
rmod D r C cpf .#Sat #Wa / (2.357)
8
The assumption of a linear temperature profile in the condensate film is retained.
The formation of the condensate is a continuous process, however, so no linear
temperature profile can form. To account for this, Rohsenow et al. (1956) state that
the factor 3/8 in Eq. (2.357) should be replaced by the value 0.68.
2.7 Two-Phase Flow 137
If the Reynolds number formed with the film thickness •Ft and the average
velocity w D m=%P f •Ft attains around 400, conversion of laminar to turbulent flow
mode takes place. Grigull (1942) was the first to approximately determine the heat
transfer in turbulent film condensation—he applied the Prandtl-Karman analogy for
tube flow to the turbulent film condensation. The laminar-turbulent conversion of
the condensation does not take place suddenly—it forms a transition zone within
the range of approx. 4 < Re < 400. In this transition zone, an undulated (wave-
forming) condensate film is formed and this leads to an increase in the heat transfer
coefficient. The transition zone starts at very low Reynolds numbers, when the
Prandtl number is sufficiently large.
Laminar film condensation on the outside of a horizontal tube was first
studied by Nusselt (1916), using Nusselt’s falling film theory. In deriving the
relationship for the average heat transfer coefficient ˛, steam shear stress was
disregarded as is done in Eq. (2.356) for the film condensation of the vertical wall.
We then obtain the following relationship:
" #0:25
%f .%f %g / g 3f r
˛ D 0:728 (2.358)
da f .#Sat #Wa /
Equation (2.358) corresponds exactly to Eq. (2.356), differing only in the con-
stant factor of 0.728. The factor in Eq. (2.358) is smaller, since the condensate film
on a tube tends to evince a greater thickness. A semi-empirical and experimentally
verified relationship for the average heat transfer coefficient of a single tube that
takes into account the shear stress is specified in Fujii (1982).
" p #
p lchar 5b 1
Nu D Re2ph 0:99 0:26 p b0:25 (2.359)
da 5bC1
with
13
2 Pr w21 w1 %f da
lchar D ; bD ; Fr D and Re2ph D (2.360)
g FrPh g da f
lchar describes the characteristic length and w1 denotes the inflow velocity of the
steam. The two-phase Reynolds number Re2ph is formed with the inflow velocity of
the steam and the physical characteristics of the condensate.
The typical heat transfer coefficients of a horizontal tube are greater than that of a
flat plate. This is why condenser tubes are usually arranged horizontally rather than
vertically.
138 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
5
Flooding is the name given to the procedure that occurs during condensation: the condensate flows
from the upper tube to the underlying tube, where it increases the average film thickness.
2.7 Two-Phase Flow 139
tube arrangements (in the case of an unstable condensate wall), the walls can
break up and form a new liquid wall with the closest tube wall which is not in-
line. In this case the condensate film no longer reaches the in-line tube.
Equation (2.358) specified by Nusselt for the average heat transfer coefficient ˛
on a single horizontal tube can be extended to cover a relationship for a tube row
consisting of in-line tubes. We must, however, keep in mind that the assumptions
made above still retain their validity (e.g., laminar flow, the disregarding of steam
shear stress, etc.). It is also assumed that the condensate always flows down to the
lower tube in sheet mode and that the temperature difference .#Sat #Wa / remains
constant for all tubes. For an arrangement with nR tubes, Eq. (2.358) thus becomes:
" #0:25
%f .%f %g / g 3f r
˛ n D 0:728 (2.361)
nR da f .#Sat #Wa /
The average heat transfer coefficient ˛ decreases because of the steady increase
of the film thickness on the lower-lying tubes.
If we now form the relationship of the average heat transfer coefficient for an
arrangement with nR tubes (Eq. (2.361)) to the average heat transfer coefficient for
one tube (Eq. (2.358)), the result is
˛n 1
D nR 4 (2.362)
˛
According to Nusselt, the correction for the jth tube of a tube bundle with nR
tubes results in:
˛j 3 3
D j 4 .j 1/ 4 (2.363)
˛
Based on his experimental results, Kern (1958) suggested changing the exponent
in Eq. (2.362) from 1/4 to 1/6, since the design of the condensers as per Eq. (2.362)
leads to values which are too low for the average heat transfer coefficient of
the bundle and are thus too conservative. For the thermal design of condensers,
the corrected relationship of Eq. (2.362) represents one of today’s most usable
relationships.
The above relationships for calculating the average heat transfer coefficient for a
tube bundle are not suitable for the design of condensers in which too-large groups
of tubes with staggered tube arrangements exist for which the actual condensate
run-off results differ greatly from Nusselt’s original concept, or in which significant
steam shear stress occurs. More detailed explanations on the determination of the
heat transfer coefficient in these cases can be found, for example, in Collier and
Thome (1994) or Marto (1998).
140 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Single-phase
steam flow Annular flow Wavy flow Stratified flow
1
˛fg D 23 (2.366)
1 xD %g
1C
xD %f
If higher steam velocities are present, the flow deviates from the idealized
stratified flow presented above and a wavy flow occurs. The result of this is that
the heat transfer of the condensate at the bottom of the tube can no longer be
disregarded. At the interface between the steam and the liquid, the axial shear
force also influences the movement and the heat transfer of the thin condensate
film at the upper surface of the tube. Dobson (1994) developed an additive method,
which combines the film condensation at the tube’s upper surface and the side walls
(by a modified Nusselt relationship) with the forced convective condensation on
the bottom of the tube. More detailed information on this topic can be found, for
example, by Dobson (1994), Dobson and Chato (1998), or Marto (1998).
If the dimensionless steam velocity is
xD mP Flux
p > 1:5 (2.367)
g %g .%f %g /da
142 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
the influence of gravity can then be disregarded and the condensate spreads over
the periphery of the tube in the form of a thin ring film, while the superheated
steam flows in the core of the tube (annular flow). No stratification of the flow
occurs. For this flow regime, a great number of correlations can be found, e.g., in
Akers et al. (1959), Boyko and Kruzhilin (1967), Cavallini and Zecchin (1974),
Fujii (1995), Soliman et al. (1968), Ananiev et al. (1961), or Traviss et al. (1972).
What these relationships have in common is that they use a modified form of the
Dittus–Boelter–Nusselt correlation for the heat transfer of a turbulent single-phase
flow with forced convection. The local Nusselt correlation of these relationships can
be generally represented as follows:
˛.x/ din 1
Nu.x/ D D C Reneq Prf3 (2.368)
f
mP Flux;eq din
Reeq D (2.369)
f
is determined by the equivalent mass flow density, which results from multiplying
the total mass flow density with a two-phase multiplier.
r
%f
mP Flux;eq D mP Flux;compl .1 xD / C xD (2.370)
%g
The total mass flow density mP Flux;compl is calculated from the mass flow densities
of the fluid and of the steam. According to Akers et al. (1959), the empirical
parameters in Eq. (2.368)
should be used to calculate the local heat transfer coefficients. The above
parameters were determined using various refrigerants and organic substances—
they can be applied over the entire steam quality range. Cavallini and Zecchin
(1974) developed a similar relationship for pure annular flow and specified the two
parameters in Eq. (2.368) as C D 0:05 and n D 0:8.
The relationship determined by Fujii (1995)
" r #0:9 0:1xD C0:8
˛.x/ din %f xD 1 aPh
D 0:018 Ref Prf3 1 C (2.371)
f %g 1 xD Prf
2.7 Two-Phase Flow 143
with
pSat
pred D (2.374)
pcrit
is applicable to both steam and refrigerants as well as to organic matter. The Dittus–
Boelter–Nusselt correlation is taken as a starting point for the calculation. Ref0
describes the Reynolds number for the tube flow of a liquid, which is calculated with
the mass flow densities of the liquid and the steam. According to Collier and Thome
(1994), Shah’s relationship should be used when the mass flow density is > 200
kg/(s m2 )—the equations as per Akers et al. (1959), however, are more suitable for
smaller mass flow densities.
As explained above, the local heat transfer coefficient can be determined with the
aid of the relationships shown here. To calculate the average heat transfer coefficient,
integration over the entire tube length l is therefore necessary.
Zl
1
˛D ˛.x/dx (2.375)
l
0
In order to carry out the integration of Eq. (2.375), it is necessary to know the
local steam quality xD at every tube location x. In most cases, therefore, we have to
divide the integration area into individual zones and determine the local heat transfer
coefficient for each one of these subzones.
The above statements on the condensation of pure substances represent only
an introduction to the work in this field. Due to lack of space, many aspects of
condensation such as the condensation of multicomponent mixtures, the influence
of inert gases on condensation, and condensation on finned tubes (Rifert and
Smirnov 2004) cannot be dealt with here. In this case, please refer to the relevant
literature. Overall views on condensation, however, are provided by Collier (1972),
Butterworth and Hewitt (1977), Baehr and Stephan (1994), Marto (1998), Collier
and Thome (1994), or VDI–Wärmeatlas (2002) (et alia).
144 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
2.8.1 Basics
One of the most important process media in heat engineering is probably water or
its gaseous phase, water vapor. A strong incentive to perform research on water has
been prevalent since the middle of last century—and the objective was (and is) to
make highly accurate thermodynamic and thermo physical material parameters of
the medium water generally available.
In line with the increased use of digital computer systems, the 6th International
Conference on the Properties of Steam in New York in 1963 saw a decision taken
to form the “International Formulation Committee” (IFC) and give it a mandate to
2.8 State and Transport Variables 145
F D F.%; T/ (2.376)
for this is that the functional form of the equations is too complicated to allow them
to be solved analytically for one single independent variable.
In addition to the above formulations, a number of other sets of equations for
calculating the state variables of water and water vapor have been established.
Representative of many others in this respect are the works of Keyes et al. (1968),
Pollak (1975), and Rosner (1986), cited in Reimann et al. (1970). A comprehensive
overview of existing equations of state for water and steam are to be found in
Schiebener (1989).
The exhaust gas formed during combustion in the combustion chamber of a steam
generator, for example, or in a gas turbine arranged upstream of a heat recovery
steam generator is a gas mixture. The main components of the gas mixture consist
of O2 , N2 , CO2 , H2 O, SO2 , and Ar. Knowledge of the exact composition is essential
for determining the material properties of the exhaust gas. If the composition of the
exhaust gas is not known from a gas analysis, it must be determined by combustion
calculation, as described in Brandt (1999a), for instance.
In Brandt (1995), Brandt specifies relationships for the material properties of
the individual exhaust gas components as a function of the temperature. The
equations described by Brandt for spec. enthalpy and spec. heat capacity at constant
pressure involve higher-order polynomials, as does the equation used here for the
spec. enthalpy of oxygen hO2 (similar equations also exist for all other off-gas
components).
a 2 O2 a 3 O2 2 a 4 O2 3 a 5 O2 4 a 6 O2
h O2 D R O2 T a 1 O2 C TC T C T C T C
2 3 4 5 T
(2.377)
The coefficients ai O2 in Eq. (2.377) can be found in Brandt (1995).
The spec. enthalpy of the gas mixture of the exhaust gas results from:
X
hFgas D YFgas i hi (2.378)
i
The index i used in Eq. (2.378) represents the individual components of the
exhaust gas, while YFgas i denotes the mass fractions associated with the exhaust
gas components.
Taking Eq. (2.377) into account, Eq. (2.378) is not suitable for numerical sim-
ulation in its present form, since too many calculations must be performed per
iteration step. If we reformulate Eq. (2.378) after substituting the spec. enthalpy hi
with Eq. (2.377) for all individual exhaust gas components, however, we obtain the
2.8 State and Transport Variables 147
with j D 1 to 5 and
X
a6 Fgas D YFgas i Ri a6;i
i
In this form, the material properties of the gas mixture can now be determined
for spec. enthalpy and spec. heat capacity at constant pressure with a minimum
of computational operations. The coefficients used in Eq. (2.379) must only be
recalculated in the new formulation if the off-gas composition is changed.
In contrast to the calculation of spec. enthalpy and spec. heat capacity, the
transport variables of a gas mixture cannot be calculated using simple mixing
rules as per Eq. (2.378). In Brandt (1995), Brandt specifies the corresponding
relationships for the determination of the physical properties of the mixture for
thermal conductivity and dynamic viscosity, which were derived from the kinetic
theory of gases.
Relationships for calculating the physical properties of gas mixtures can also be
found, for example, in Bücker et al. (2003) and Kabelac et al. (2006).
Heat exchangers are energy and process technology devices, which accomplish
the exchange of heat between two or more fluids. The fluids involved in the heat
exchange may change their state of aggregation under certain circumstances. Energy
storage can be caused by a change in temperature at finite heat capacity (sensible
heat storage) or by condensation or evaporation (latent heat storage).
A variety of different designs has been developed, based on the requirements for
the performance and the size of the heat exchangers. The exchangers are basically
designed in accordance with two different principles:
• as regenerators
• and as recuperators.
Both systems have advantages and disadvantages and thus have their own specific
applications.
2.9.1 Regenerator
Cold gas
Main bearing
Drive box
Sprocket
Rotor
Fuel gas
2.9.2 Recuperator
Recuperators represent the traditional and most commonly used type of heat
exchanger. The heat is transferred directly without intermediate storage and there-
fore without delay. The heat exchange media involved are, however, spatially
separated from one other by a wall (Fig. 2.38 shows a simple example of this).
Recuperators differ in particular by the flow configuration of the fluids involved
in the heat exchange (concurrent flow, counter-current, cross-flow, or a more
complicated flow configuration).
In the calculation of recuperators, a basic distinction is made between
• design or dimension calculation; all inlet and outlet temperatures and mass flow
rates of the fluids are known. The dimensions (area) of the recuperator are
desired.
• confirmatory calculation; the geometric dimensions of the recuperator are
known; the outlet temperatures for different load cases are desired. Efficiency
and transferred heat capacity can then be determined.
However, to carry out the calculation of a heat exchanger, we must first determine
the major influencing variables.
150 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
inl,2 out,2
m2 c p2 m2 c p2
kA
m1 c p1 m1 c p1
out,1
inl,1
Figure 2.37 shows the major influencing variables on the heat exchanger. These
are transfer capability k A, heat capacity flows mP 1 cp1 and mP 2 cp2 , and the inlet
and outlet temperatures of the fluid mass flows. These factors can be reduced by
appropriately converting them to dimensionless parameters.
In practice, different methods have been developed for the calculation of
heat exchangers. The methods "-NTU (Number of Transfer Units) and LMTD
“Logarithmic Mean Temperature Difference” are dealt with here.
The decisive temperature difference necessary for dimensioning and
recalculating—the so-called LMTD—is derived on the following pages.
inl,1 m1,c p1
out,2
inl,2
m2, c p2
out,1
inl,1
inl,1
1
out,1 gr 1
gr
sm
out,2 out,1
out,2
sm
2
inl,2 2 inl,2
Heat exchanger length Length Heat exchanger length Length
Fig. 2.39 Temperature profile in concurrent and counterflow heat exchangers. (a) Concurrent flow.
(b) Counterflow
fluids involved in the heat exchange enter at opposite ends of the heat exchanger.
In contrast to the concurrent flow heat exchanger, this flow configuration enables a
lower cooling end temperature of the warm fluid 1 and greater heating of fluid 2.
In concurrent flow, both fluids enter at the same end of the device. The following
should therefore apply for the temperatures at the outlet: #out;1 > #out;2 . Even an
arbitrary extension of the heat exchanger cannot lead to both outlet temperatures
being equal. The consequence of this behavior is that not all heat transfer tasks
can be achieved by means of both flow configurations. Another disadvantage of the
concurrent flow heat exchanger is that they require a larger surface area to output the
same amount of heat as the counterflow heat exchangers. This is why the concurrent
flow heat exchanger is seldom used.
On the following pages, a concurrent flow heat exchanger has been used to
perform an analysis of the temperature profile of heat exchanger fluids. The
objective of this analysis is to derive the logarithmic mean temperature difference
#log which in turn is used to calculate the heat capacity and the dimensioning of
the concurrent and counterflow heat exchangers.
152 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
inl,1
1
out,1
out,2
dA
2
inl,2
0 a A Surface
dA
dQ
m1 c p1 1 m1 c p1 ( 1+ d 1 )
dQ
m2 c p2 2 m2 c p2 ( 2+ d 2 )
dA
Fig. 2.41 Heat flows, across the volume element dA for both fluids. (a) Heat-emitting fluid 1. (b)
Heat-absorbing fluid 2
Figure 2.40 shows the temperature profile in the heat exchanger (which is
adiabatic against the environment) plotted against the heating surface. We disregard
the very low pressure dependence of the spec. enthalpy h of the fluids. This means
that h depends only on the temperature and that the following is valid:
hinl;i hout;i
cp i D where i D 1; 2 (2.380)
#inl;i #out;i
with the integral isobaric spec. heat capacity cp i between the temperatures #inl;i
and #out;i . On the arbitrarily chosen distance a from the entrance of the fluids into
the double-tube heat exchanger, the first law of thermodynamics for steady-state
flow processes should be applied to section dA, disregarding potential and kinetic
energies, which are small compared to the thermal energy of the fluid.
Figure 2.41a shows the incoming and outgoing heat flows of fluid 1 across the
volume element of the heating surface element dA. Since the temperature of fluid 1 is
higher than that of fluid 2, a heat flow dQP is transferred to fluid 2. If we use the first
law of thermodynamics for this heating surface element, we obtain the following
relationship:
Reformulation of Eq. (2.381) then gives us a relationship for the change in the
heat flow or temperature of the fluid:
dQP
dQP D mP 1 cp 1 d#1 respectively d#1 D (2.382)
mP 1 cp 1
The same procedure is now used for fluid 2. Figure 2.41b shows the heat flows
of fluid 2 entering and exiting across the boundaries of the heating surface element
dA. When we apply the first law of thermodynamics to the heating surface element
of fluid 2, we obtain:
dQP
d#2 D (2.383)
mP 2 cp 2
Subtraction of Eq. (2.383) from Eq. (2.382) results in a relationship for the
differential change in temperature difference between the two fluids.
1 1
d#1 d#2 D dQP C (2.384)
mP 1 cp 1 mP 2 cp 2
The following relationship applies for the transferred heat flow between the two
fluids through the tube wall of the heat exchanger in the heating surface element dA:
with the overall heat transfer coefficient k. Substituting the transferred heat flow dQP
in Eq. (2.384) with Eq. (2.385) gives us
1 1
d#1 d#2 D k .#1 #2 / C dA (2.386)
mP 1 cp 1 mP 2 cp 2
Using the relationship d#1 d#2 D d .#1 #2 /, we can formulate Eq. (2.386) as
follows:
1 1 1
d .#1 #2 / D k C dA (2.387)
.#1 #2 / mP 1 cp 1 mP 2 cp 2
Zout ZA
1 1 1
d .#1 #2 / D k C dA
.#1 #2 / mP 1 cp 1 mP 2 cp 2
inl 0
154 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Q
m1 c p1 inl,1 m1 c p1 out,1
Q
m2 c p2 inl,2 m2 c p2 out,2
Fig. 2.42 Heat flows, over the control volumes of the individual fluids. (a) Heat-emitting fluid 1.
(b) Heat-absorbing fluid 2
QP
mP 1 cp 1 D and (2.389)
#inl;1 #out;1
QP
mP 2 cp 2 D (2.390)
#out;2 #inl;2
kA
QP D Œ.#inl;1 #inl;2 / .#out;1 #out;2 / D kA#log
#inl;1 #inl;2
ln
#out;1 #out;2
(2.391)
with the Logarithmic mean temperature difference
If the derivation of the LMTD described above is carried out for a counterflow
heat exchanger, we obtain a similar result:
A comparison of the two solutions for the LMTDs of the counterflow and
concurrent flow heat exchangers shows that this can be generally represented in
both cases:
#gr #sm
#log D (2.394)
#gr
ln
#sm
The temperature differences #gr and #sm or the two options for flow
configuration of the double-tube heat exchanger can be seen in Fig. 2.39a and b.
If we want to determine the temperature profile of the two fluids involved in the
heat exchange along the length of the heat exchanger, we must integrate the ordinary
differential equation of the 1st order (2.387) from the inlet of the fluid mass flow rate
into the heat exchanger up to any selected point a (see Fig. 2.40) on the heat transfer
surface.
#1;a
Z ;#2;a ZAa
1 1 1
d .#1 #2 / D k C dA (2.395)
.#1 #2 / mP 1 cp 1 mP 2 cp 2
inl 0
with the heating surface of the heat exchanger Aa from the fluid entering the heat
exchanger up to the point a.
The profile of the temperature difference .#1 #2 / is thus determined as a
function of the heating surface. However, since we are interested in the temperature
profiles of the individual fluids, one of the two temperatures #1;a or #2;a must be
substituted by an appropriate relationship at the point a in Eq. (2.396). Here again
we consider the two fluids 1 and 2 as two separate systems, which are related to
one another in heat exchange. In contrast to the derivation of the LMTD, we will
now address the double-tube heat exchanger from the entry of the fluid into the heat
exchanger up to the freely selected point a. When we use two separate sketches to
plot the two heat flows that cross the control volumes of the two fluid systems, the
resulting configurations are shown in Fig. 2.43a and b.
156 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
Q
m1 c p1 inl,1 m1 c p1 1,a
Q
m2 c p2 inl,2 m2 c p2 2,a
Fig. 2.43 Heat flows, across the control volume of the individual fluid systems. (a) Heat-emitting
fluid 1. (b) Heat-absorbing fluid 2
Substituting the temperature #2;a in Eq. (2.396) with Eq. (2.399) (after some
subsequent reformulation) gives us the desired relationship for the temperature #1;a
at point a.
mP 1 cp 1 #inl;1 C mP 2 cp 2 .#inl;2 C b/
#1;a D (2.400)
mP 1 cp 1 C mP 2 cp 2
To obtain the temperature profile for #2;a , the temperature #1;a must be deter-
mined from the equations (2.397) and (2.398). Substitution of the temperature #1;a
in Eq. (2.396) leads to the equation for the temperature #2;a at point a.
mP 2 cp 2 #inl;2 C mP 1 cp 1 .#inl;1 b/
#2;a D (2.401)
mP 1 cp 1 C mP 2 cp 2
Further reading on heat exchangers (including the "-NTU method which has
not been discussed here) can be found in Hausen (1976), Martin (1988), Shah and
2.9 Heat Transfer by Means of a Heat Exchanger 157
Sekulić (1998), Poling and Kopitz (2005), VDI-Wärmeatlas (2006), or Baehr and
Stephan (2008).
In a counterflow heat exchanger, saturated water vapor (D state on the vapor line) is
cooled to a temperature of #D;out D 125 ıC at a pressure of 3 bar for the purpose of
space heating. The steam flow rate is given at mP D D 4 kg/s. Air is available for the
cooling of the steam mass flow. The air is at a temperature of #Air;inl D 10 ı C; the
target is an increase up to #Air;out D 22 ı C. The average spec. heat capacity of the
air amounts to cpAir D 1:0096 kJ/(kgK). An isobaric state change can be used as an
approximation.
The following questions should be answered:
(a) We want the schematic temperature profile for both fluids involved in heat
exchange on the heat transfer surface. The temperatures necessary for the
calculation must also be entered.
(b) How large is the minimum surface area Areq of the heat exchanger required for
heat exchange, if we can assume an average overall heat transfer coefficient for
the entire heat exchanger of k D 60 W/m2 K?
Excerpt from the steam table for water:
Values at the boiling point and dew-point line:
Subcooled liquid:
p # % h s
Œbar [ı C] Œkg/m3 ŒkJ/kg ŒkJ/kgK
3 125.0 939.11 525.11 1.58142
Question (a):
The cooling of the steam takes place through condensation in the first section
of the counterflow heat exchanger and through subcooling of the fluid in the
adjoining section. During condensation, the steam temperature is identical to the
saturated-steam temperature at the given operating pressure of 3 bar. After complete
condensation of the steam, fluid 1 emits further heat to the air and exits the heat
158 2 Conversion and Transport of Mass, Energy, Momentum, and Materials
D,out
Air,out
Air,cond Air,inl
Surface area
exchanger at the outlet temperature #D;out . In return, the air heats up from its inlet
temperature #Air;inl to the outlet temperature #Air;out .
Question (b):
In determining the heat transfer surface, we must take into account the fact that
the steam condenses—so we cannot calculate the device to be examined using the
above-derived LMTD as a total heat exchanger for which only the inlet and outlet
temperatures are relevant. For the derivation of the LMTD, we assumed that no
phase change would take place in the heat exchanger and that the heat capacities
would change significantly. We must therefore regard our test device as divided in
our minds and calculate it using the same method as we would use to calculate two
heat exchangers switched in series. So to determine the heat transfer surface, we
must first determine the missing temperature #Air;cond (see Fig. 2.44). To do this, the
transferred heat flow QP and the air mass flow mP Air must be determined.
Using the 1st law of thermodynamics for steady-state flow processes, the
transferred heat flow becomes:
where hD;out D 525:11 kJ/kg according to the steam table. The air mass flow is
also calculated with the aid of the 1st law of thermodynamics for steady-state flow
processes:
QP
mP Air D D 272:41 kg/s
cpAir .#Air;out #Air;inl /
Now the condenser outlet temperature of the air #Air;cond can be determined. To
do this, an energy balance is formed over the entire heat exchanger in accordance
with Fig. 2.45.
2.9 Heat Transfer by Means of a Heat Exchanger 159
mD h‘‘
Energy balance:
Reformulation of the energy balance gives us the relationship for the desired
variable #Air;cond .
mP D .h0 h00 /
#Air;cond D #Air;out C D 9:469 ı C
mP Air cpAir
The required heat transfer surface area is derived from the sum of the partial
areas:
As already noted in Sect. 1.1 (Fig. 1.2) and Chap. 2, the balance equations for
mass, momentum, energy, substances, and phases and the constitutive equations or
models for heat and mass transfer, substance transformation and phase transition,
turbulence, and physical characteristics form a coupled system of non-linear partial
differential equations (PDE). The complexity (number of equations) depends on the
problem to be modeled and the expected detailing of the results. PDEs like this
can only be resolved if the proper boundary and initial values are given, something
which is not always checked and recognized by commercial programs. The problem
is then well-posed. Analytical solutions are only available for simplified problems;
only a numerical solution is generally possible (van Kan and Segal 1995; Steinrück
2000). As described in Chap. 2, Eq. (2.14) and Eq. (2.15), the general balance
equation in vector notation is
@ PE
D divJ C div grad C S (3.1)
@
or in tensor notation
@ @wi @ @
D C C S (3.2)
@ @xi @xi @xi
or a wind energy plant or a pump, etc.) and/or by flow forces (wing of an aircraft,
suspension bridges, etc.), it is advantageous to let the Eulerian coordinate system
move with this motion—and it is also necessary to calculate flow and walls (stresses
and strains) together. This does of course complicate the calculation. The space-
time-finite-element method was recently developed to solve such problems (see
Walhorn (2002)).
We often use a combination of the Eulerian and Lagrangian approaches when
we examine the trajectories of solid particles in fluids, liquid droplets in gas
flows, or gas bubbles in liquids—the problem is simplified, however, if we can
treat the particles, droplets, or gas bubbles as spheres with a constant radius. Of
course we can easily track the history of a particle, droplet, or gas bubble on its
trajectory. This is important if, for example, we want to investigate ash particles
and the transformations of the ash minerals along the flight path in a combustion
chamber in order to calculate the slagging of combustion chambers. At a low particle
concentration, the coupling can be single-sided (only the action of the flow forces
on the particle, etc., are considered) or, more correctly, both-sided (the reaction of
the particles, etc., to the flow is also taken into account). The problem becomes even
more complex if the particle impacts must be considered as among one another
(together) because of high particle concentration.
Another organizational option is as per the coordinate system that is used:
The coordinate system to be selected depends on the configuration, the solution
space, and the problem to be solved—and it should therefore be selected according
to the viewpoint that describes the physics of the problem in the easiest way.
An appropriately chosen coordinate system will simplify the solution process
considerably. The dimensionality (1D, 2D, or 3D) of the task plays a significant role
here, since it largely determines the numerical effort needed to solve the problem.
The form of the balance equations is specified at the same time as the selection of
the coordinate system.
The most commonly used coordinate systems are:
• Cartesian coordinate system (orthogonal)
Fig. 3.1a shows the coordinates necessary for the determination of a point P in the
Cartesian coordinate system. This coordinate system is suitable for rectangular
overall geometries.
The extremely simplified, 3D computational grid of a combustion chamber with
pulverized coal firing is shown in Fig. 3.1b as an exemplary application of the
Cartesian coordinate system.
If we use a Cartesian computational grid, inclined surfaces are stepped; however,
this is usually tolerable.
• Cylindrical coordinate system
Fig. 3.2a shows the coordinates necessary for defining a point P in cylindrical
coordinates. Figure 3.2b shows a cylindrical 3D grid computing system, such
as is used in a cylindrical burner, for instance. If rotational symmetry prevails
(i.e., the variables are only dependent on radius r and not on the angle ), a 2D
cylindrical computational grid can be used as shown in Fig. 3.3a.
164 3 Numerical Methods
P(x,y,z)
y
x
Fig. 3.1 Cartesian coordinate system and Cartesian 3D computational grid. (a) Coordinate
system. (b) 3D computational grid
z
P(r, ,z)
Fig. 3.2 Cylindrical coordinate system. (a) Coordinate system. (b) 3D computational grid
Fig. 3.3 Example of a 1D and 2D computational grid in cylindrical coordinates. (a) 2D cylindrical
computational grid. (b) 1D cylindrical computational grid
Fig. 3.4 Spherical coordinate system. (a) Coordinate system. (b) 3D mesh
Grid
z kk
x kk
i,j+1,k
ykk
i,j,k
i+1,j,k
i,j,k+1
together in the cylinder axis, the polar axis, and the sphere center. This is also
true for other spatial structures, such as body-aligned computational grids (see
Fig. 3.5 (Schüller 1999)) with the curvilinear coordinates xcl , ycl , and zcl . The
respective points of intersection of the 3 coordinate lines form the vertices of
the 3D control volumes. Choosing curvilinear coordinates prevents duplicates
and misclosures from occurring between the individual cells. The use of body-
aligned grids allows the mapping of the flow area (split into 3D control volumes)
in a 3D index space, as shown in Fig. 3.6. The index space is generally composed
of cubes, and its coordinates are described by i; j, and k. In the index space,
the vertices of the body-aligned mesh can be clearly identified (thanks to their
indices i, j, k), as can the corresponding Cartesian coordinates x.i; j; k/, y.i; j; k/,
z.i; j; k/. The individual control volumes can also be indexed and are assigned
the index iRo , jRo , kRo if the cell vertices in the index space are designated by
i; j; k i C 1; j; k i C 1; j C 1; k i; j C 1; k
i; j; k C 1 i C 1; j; k C 1 i C 1; j C 1; k C 1 i; j C 1; k C 1
i
Fig. 3.6 3D index space of a 3D body-aligned computational grid
4 5 9
Element number
3 9 1 2 3 4 5 6
3 1 4 8 A 3 6 2 2 1 1
B 2 2 5 7 7 2
7 8
2 2 5 7 C 4 3 4 5 2 6
C
6
6 1
A B
Fig. 3.7 Triangulation: Local (A, B, C) and global numbering of the nodes by means of the
assignment matrix (Oertel and Laurien 1995)
• Hybrid grids are an attempt at combining the advantages of both structured and
unstructured grids. The above options are available at the interfaces.
A further distinction is made between
• staggered and
• non-staggered grids.
In staggered grids, the scalar values are defined in the center of gravity of the
volumes, or the surfaces lie in the middle between these grid points. The vector
variables are defined on the surfaces, so that in the three-dimensional case four grids
occur—one for scalar variables and one each for the components of the vectors
in the x-, y-, and z-direction. In the case of the non-staggered grid, scalar and
vector variables are defined in the same point. This leads to a different calculation
procedure, one which under certain circumstances is not so easy to converge as that
of the staggered grid (see also Sect. 3.5.5).
There are also procedures that operate on multiple grids to promote convergence
(multi-grid procedures).
A grid should always be particularly fine where the absolute value of the gradients
of any calculated variable is particularly large. In Cartesian grids without local
grid refinement, this results in the small mesh sizes running through the entire
computational domain—and this not only costs computer time, but it also leads to
unfavorable volume element measurements (very different measurements in spatial
directions). This can be avoided by block-structured grids with local grid refinement.
Please refer to Fig. 3.8.
3.1 Coordinate Systems and Grids 169
40 40
z [m]
z [m]
35 35
30 30
25 25
20 20
15 15
10 10
5 5
0 0
0 0
10 10
5 m] 5 m]
5 y [ 5 y [
10 10
x [ 0 x [ 0
m] m]
Fig. 3.8 Discretization of a combustion chamber with and without local grid refinement (Schiller
1999)
Grid Generation
i1
xi D lx i D 1; 2; : : : ; nx
nx 1
j1
yj D ly j D 1; 2; : : : ; ny (3.3)
ny 1
k1
zk D lz k D 1; 2; : : : ; nz
nz 1
+ non-equidistant Cartesian grid; here the relevant grid widths (which are
intended for the x, y, and z directions) and the locations (intended for the
corresponding widths) must be saved
+ Interpolation method (Oertel and Laurien 1995)
+ Transfinite interpolation (Oertel and Laurien 1995)
+ Shooting method (Oertel and Laurien 1995).
• Method with solving a PDE
+ Elliptical method: The basic idea here is that the coordinate functions must
satisfy Laplace’s equation
+ Control through control function for local compaction
+ Hyperbolic methods.
• Triangulation
+ Delaunay triangulation
+ Front generation method.
Elements with very different edge or side lengths, acute angles, etc., are generally
problematic. Grids should always be drawn for control purposes!
As already mentioned, in the case of structured grids each grid point is clearly
defined by a set of indices (.i/ in 1D, .i; j/ in 2D, and .i; j; k/ in 3D case). When
a structured grid is used, the corresponding neighboring points are clearly specified
by increasing or decreasing indices (see Fig. 3.9). For the sake of clarity, a Cartesian
coordinate system is used, upon which each structured grid can be mapped.
3.1 Coordinate Systems and Grids 171
1 i-1 i i+1 Ni
x
Nj
j+1
(i,j)
j
j-1
y
1
1 i-1 i i+1 Ni
x
NN
T
NW N NE
N
WW W P E EE W P E
S
SW S SE
B
y SS z
y
x x
Fig. 3.10 Description of definition points in the compass notation for a differential volume
element in a 3D Cartesian grid. (a) 2-dimensional. (b) 3-dimensional
Table 3.1 Relationship between indices of the grid points and the compass notation in a 3D
Cartesian grid
Grid index Compass notation Grid index Compass notation
i,j,k P i+1,j+1,k NE
i-1,j,k W i-1,j-1,k SW
i,j-1,k S i+2,j,k EE
i,j+1,k N i,j+2,k NN
i+1,j,k E i+1,j-1,k+1 SE
i,j,k-1 B i-2,j,k WW
i,j,k+1 T i,j-2,k SS
Nj Nj
j+1 j+1
j (i,j)
j
(i,j)
j-1 j-1
y
1 y
1
1 i-1 i i+1 Ni 1 i-1 i i+1 Ni
x x
Fig. 3.11 Options for the arrangement of definition points and boundaries (2D-case). (a) Bound-
aries halve the distance between the definition points. (b) Definition point in the element center
In the FDM, the differentials of the 1st and 2nd orders in the balance equation are
replaced by an approximation of the Taylor series expansion. The following Taylor
series expansions apply to a grid with constant spacing between the individual
computational points (see Fig. 3.12):
Forward:
@ 1 @2 1 @n
.x C x/ D .x/ C x C x2 2 C xn n (3.4)
@x 2 @x nŠ @x
Backward:
@ 1 @2 1 @n
.x x/ D .x/ x C x2 2 C .1/n xn n (3.5)
@x 2 @x nŠ @x
174 3 Numerical Methods
Backward
Exact
Central
Forward
Xi+1
Xi
(i - 2) (i - 1) (i) (i + 1) (i + 2) X+
Fig. 3.12 Taylor series expansion
The derivative of the first order can be approximated in three different ways from
these two Taylor series expansions or from one of the two:
• Subtracting Eq. (3.5) from Eq. (3.4) and disregarding the higher order derivatives
leads to the commonly used “central difference”:
@
.x C x/ .x x/ D 2 x (3.6)
@x
rearranging leads to
@ .x C x/ .x x/
D (3.7)
@x 2 x
• After conversion and the disregarding of the second and higher-order derivatives
of Eq. (3.4), we obtain the following forward difference:
@ .x C x/ .x/
D (3.8)
@x x
• From Eq. (3.5) we obtain the following backward difference:
@ .x/ .x x/
D (3.9)
@x x
The difference formula for derivatives of the second order is obtained by the
addition of Eq. (3.4) and Eq. (3.5) and by disregarding the derivatives of the fourth
3.2 Discretization Methods 175
@2
.x C x/ C .x x/ D 2 .x/ C x2 (3.10)
@x2
The conversion results in:
Slope
of the
tangent Slope of the chord Truncation error
‚…„ƒ ‚ …„ ƒ ‚ …„ ƒ
@ .x C x/ .x/ @2 x2 @3 x3 @n xn
D 2 3 ::: n
@x x @x 2Š @x 3Š @x nŠ
(3.12)
In some cases a relationship exists between minimization tasks and the solution of
PDEs. In these cases, a function (always a function of x) E which makes an integral
term (functional) stationary (i.e., the first variation becomes zero) under the side
condition that this function is provided on the boundary is also the solution of a
PDE with the same Dirichlet and Cauchy boundary conditions. A Ritz approach is
used to determine such a function .
If no such functional exists, then the postulation that the integral of the weighted
residuals has to disappear throughout the area will also lead to an algebraic equation
system. This is why the method of weighted residuals or the Galerkin FEM are used.
Note: The integral of the weighted residuals consists of the differences between the
approximation function (with ansatz functions such as the Ritz approach) and the
solution itself.
As an example, let us consider a PDE of a function (Specht 2000)
L˝G D div.%w/
E C div. grad/ (3.14)
176 3 Numerical Methods
on the boundary @˝G of the area ˝G ; the problem is thus represented correctly. The
unknown function should now be approximated. To do this, we simply select a set
of suitable, linearly independent ansatz functions o0 ; o1 ; o2 ; o3 ; : : : ; on , whereby o0
satisfies the inhomogeneous boundary conditions and the oi on the boundary vanish,
i.e., they satisfy the homogeneous boundary conditions.
The unknown function is approximated by
X
n
D o0 C o i i (3.16)
iD1
whereby i represent the values of at the grid points. The Ritz and the Galerkin
procedures are identical up to this point.
In the Ritz procedure, where a functional of the PDE must be available, the i are
calculated by inserting the approximate solution into the functional and postulate
the disappearance of the first variation of the functional. This provides exactly n
equations for determining the n i .
In the Galerkin method, we insert the approximation function into the PDE and
obtain a residual, R for the finite n
R D L˝G S˝G (3.17)
The finite volume method (FVM) can be interpreted as a variant of the method
of weighted residuals. The computational domain is divided into separate volume
3.2 Discretization Methods 177
@%
div %w
E C grad D S (3.19)
@
or consolidated as
P
divJEres
conv;diff D SSpQS
res
(3.20)
P
whereby JEres
conv;diff is a general flow vector on the edge or the surface @˝G and SSpQS
res
For discretization purposes, we divide the area ˝G into small control volumes
(volume elements or finite volumes) Vi ; i D 1; 2; : : : ; Nn . We can then integrate the
PDE in these control volumes—and we obtain exactly one discretized equation for
each control volume. The control volumes are generally hexahedra or tetrahedra—
or, in the case of 2D, rectangles (squares) or triangles. See Fig. 3.13.
The Gaussian integral theorem enables us to convert certain surface integrals into
volume integrals and vice versa; it states that the volume integral of the divergence of
a flow vector (the difference between the inlet and outlet flows in the same direction)
is equal to the surface integral of the scalar product of the flow vector with the
surface normal.
• “
P P
divJEres
conv;diff dV i D JEres
conv;diff ndA
E i (3.22)
Vi Ai
178 3 Numerical Methods
ni,2,Ai,2 ni,1,Ai,1
ni,3,Ai,3
ni,4,Ai,4
Fig. 3.13 Control volume Vi , surfaces Ai;k normal surface vectors nEi;k
Assuming a constant value for the integrand at the surfaces Ai , the right-hand side
of Eq. (3.22) can be calculated for each volume element as follows:
“ XP n
P
JEres
conv;diff ndA
E iD JEres
conv;diff ;k n
Ei;k Ai;k (3.23)
kD1
Ai
The left-hand side of Eq. (3.20) is thus integrated and discretized. The volume
res
integral of the right-hand side of Eq. (3.20) (assuming a constant value of SSpQS in
the volumes Vi ) can be easily determined thus:
•
res
SSpQS dVi D SSpQS
res
xEi Vi (3.24)
Vi
The supporting grid point xEi is generally the center of gravity point; in principle,
however, other options also exist (see Sect. 3.1).
The following FVM equation is established for each control volume Vi .
X
n
P
JEres nEi;k Ai;k D SSpQS
res
xEi Vi (3.25)
kD1
3.3 Approximation of Surface and Volume Integrals and Interpolation of. . . 179
Every surface in the inner zone occurs twice in the equations, whereby the flows
over these surfaces naturally have opposite algebraic signs; because that which flows
from one volume element must flow into the neighboring volume element, i.e., the
sum of the flows in the inner zone is zero and the overall balances are therefore
satisfied. This is why the finite volume method is conservative.
In the FVM, the following applies for a Cartesian volume element:
!
Z xC Z yC Z zC Z yC Z zC
ˇˇ ˇˇ
@
% dxdydz D .%w1 / ˇ .%w1 / ˇ dydz
@ x y z y z xC x
Z xC Z zC
ˇˇ ˇˇ
.%w2 / ˇ .%w2 / ˇ dxdz
x z yC y
Z xC Z yC
ˇˇ ˇˇ
.%w3 / ˇ C .%w3 / ˇ dxdy
x y z z
Z Z ˇ " ˇ #
yC zC
@ ˇˇ @ ˇˇ
C dydz
y z @x1 ˇxC @x1 ˇx
Z xC Z zC " ˇ ˇ #
@ ˇˇ @ ˇˇ
C dxdz
x z @x2 ˇyC @x2 ˇy
Z xC Z yC " ˇ ˇ #
@ ˇˇ @ ˇˇ
C dxdy
x y @x3 ˇzC @x3 ˇz
Z xC Z yC Z zC
C S dxdydz
x y z
(3.26)
nn
ne
n
t nt
N
y
nn W P ne E
nw w n w e
W P e ne E nw
z
s
ns
s
se
nb b
y x
ns
S
x
x
x S
B
the definition point of the balance value in the east and e is the surface area or the
side respectively between the definition points P and E (also see Figs. 3.14a and b).
The following are also used as shown in Fig. 3.14:
N; n for north;
W; w for west;
S; s for south;
T; t for top and
B; b for bottom:
In order to carry out the flow balance calculation, we must approximate the
surface integrals—and it is expedient to approximate the integrals in two steps.
1. Approximation of material properties %, , etc. on the control volume surfaces
(2D control area side) through values in the control area centers (2D control
surface centers)
2. Approximation of the balance variable on the control volume surfaces (2D
control volume side) through values in the control area centers (2D control
surface centers).
The simplest option is an approximation with the value of the definition point,
i.e. midpoint rule. Other common formulas that can be used for the approximation
are the Trapezoidal rule and Simpson’s rule (Table 3.2).
Based on the simplification procedures the surface integrals will be replaced
by the difference of the flows over the surfaces and the volume integrals will be
replaced by the products of the source–sink–strength S , and of the specific rate of
3.3 Approximation of Surface and Volume Integrals and Interpolation of. . . 181
The calculation of the balance values and their gradients between the definition
points is the result of appropriate calculation rules, the so-called approximations of
the course of a variable between the definition points through polynomials. These
are used to determine the values on the volume surfaces, in dependence on the values
in the definition points. The selection of the location and the number of definition
points for the interpolation influences the truncation error and the stability of the
method (Patankar 1980; Noll 1993; Schäfer 1999).
182 3 Numerical Methods
Interpolation parabola
Interpolation parabola
1
continuous 2
continuous
Interpolated values by
parabola 1
(i-2) (i-1) (i) (i+1) (i+2) X+ parabola 2
WW W w P e E EE continous values
Fig. 3.15 Discretization error when using a parabola for two control volume sides at the same
time. (a) Discretization error. (b) Discretization error enlarged
In the selection and definition of polynomials like this, the following important
rules must be adhered to:
• One clear relationship must exist between control volume surface (3D
case)/control area side (2D case) and polynomial.
• One polynomial may only be used for one control volume surface (3D
case)/control area side (2D case). If the polynomial is used for two control
volume surfaces/sides, two different approximation methods will be applied and
lead to wrong results.
In Fig. 3.15 we can clearly see that when parabola (1) is used for the jw -surface
and the je -surface at the same time, this results in an approximation in which
the je -surface approximation differs from the approximation where parabola (2)
was used. The principle of conservation of the balance equations is consequently
violated by the resulting on the je -surface (see enlarged section in Fig. 3.15b).
The coefficients ai of the polynomial (3.28) are determined by inserting the
function values with the corresponding coordinates of the reference points.
The example of the jw -surface of a Cartesian control volume is used below to
develop the polynomials for calculating the variables. The nomenclature of the
compass notation is used for derivation, while the remaining surfaces are dealt with
analogously.
3.3 Approximation of Surface and Volume Integrals and Interpolation of. . . 183
(i-2) (i-1) (i) (i+1) (i+2) X+ (i-2) (i-1) (i) (i+1) (i+2) X+
WW W w P e E EE WW W w P e E EE
Fig. 3.16 Description of the course of the variable with (a) 0 order polynomial and (b) 1st order
polynomial
f .x/ D a0 (3.29)
For the jw -surface with the x coordinate xw , the values in the neighboring
definition points xW and xP apply as potential balance variable values on the surface.
Note the direction of the velocity. The value upstream of the surface must always be
used. The value at the jw -surface therefore applies to f .xw / as follows:
w D W wx > 0 (3.30)
w D P wx < 0 (3.31)
For the 1st order polynomial (central differences, see Fig. 3.16b) the following
generally applies:
f .x/ D a0 C a1 .x x1 / (3.32)
x1 D xP (3.33)
In this way, we obtain the following for the 1st order polynomial:
a0 D f .xP / D P (3.35)
184 3 Numerical Methods
The value of the coefficient a1 is determined in the next step, using the balance
variable value and the x coordinate of the point W. Together with a0 from Eq. (3.35),
the following applies for the coefficient a1 :
x1 D xP und x D xW (3.36)
or
W P
a1 D (3.38)
xW xP
The required variable can be calculated using this polynomial with the x coordi-
nates and the corresponding balance variables for each control volume surface.
W P
f .x/ D P C .x xP / (3.39)
xW xP
The following applies for the jw -surface where the x coordinate is xw and f .xw / D
w :
W P
f .xw / D w D P C .xw xP / (3.40)
xW xP
For the 2nd order polynomial (QUICK method (Quadratic Interpolation for
Convective Kinematics); see Fig. 3.17), the following generally applies:
W P
f .xWW / D P C .xWW xW / C a2 .xWW xW /.xWW xP / (3.42)
xW xP
W P
WW P .xWW xW /
xW xP
a2 D (3.43)
.xWW xW /.xWW xP /
W P
f .x/ D P C .x xW / C (3.44)
xW xP
W P
WW P .xWW xW /
xW xP
.x xW /.x xP /
.xWW xW /.xWW xP /
W P
f .xw / D w D P C .xw xW / C (3.45)
xW xP
W P
WW P .xWW xW /
xW xP
.xw xW /.xw xP /
.xWW xW /.xWW xP /
W P
f .xE / D P C .xE xP / C a2 .xE xP /.xE xW / (3.46)
xW xP
W P
E P .xE xP /
xW xP
a2 D (3.47)
.xE xP /.xE xW /
186 3 Numerical Methods
W P
f .x/ D P C .x xP / C (3.48)
xW xP
W P
E P .xE xP /
xW xP
.x xP /.x xW /
.xE xP /.xE xW /
W P
f .xw / D w D P C .xw xP / C (3.49)
xW xP
W P
E P .xE xP /
xW xP
.xw xP /.xw xW /
.xE xP /.xE xW /
xW xP D x xWW xP D 2 x
xWW xW D x xE xW D 2 x
xw xW D .1=2/ x xw xP D .1=2/ x
With polynomial:
0 order w D W
1st order w D .W C P /=2
2nd order w D .W C P /=2 .WW C P 2 W /=8
Since the velocity direction must be addressed when using the polynomials, the
following applies for w < 0:
With polynomial:
0 order w D P
1st order w D .W C P /=2
2nd order w D .W C P /=2 .E C W 2 P /=8
Methods with any desired order can be developed via the polynomials. In general,
however, only one parabola (2nd order polynomial at maximum) is used, since the
3.3 Approximation of Surface and Volume Integrals and Interpolation of. . . 187
computational complexity increases much more than the truncation error decreases
when higher-order polynomials are used.
Different approaches can be applied to convection and diffusion and to the various
flow parameters! If a 2nd order polynomial (as per Eq. (3.44)) is used for the
discretization of the diffusive flows d
dx ,
d df .x/
D (3.50)
dx dx
differentiation leads to:
d
D ;w Œa1 C 2a2 x a2 .xP C xW /
dx
For the jw -surface, the diffusive flow for an equidistant grid, taking into account
the coefficients a1 and a2 from Eq. (3.38) and (3.43), is obtained thus:
ˇ
d ˇˇ W P
ˇ D ;w
dx w xW xP
WW C P 2W
C .2xw xP xW / (3.51)
2 x2
If a 1st order polynomial is used for the approximation of the diffusive flow on
an equidistant grid instead of the 2nd order polynomial, Eq. (3.51) is simplified with
the following expression as a result:
ˇ
d ˇˇ W P
ˇ D ;w
dx w xW xP
W P
D ;w (3.53)
x
188 3 Numerical Methods
For the approximation of the diffusive flow on an equidistant grid by a 1st order
polynomial, the following therefore applies:
ˇ
d ˇˇ P W
ˇ D ;w (3.54)
dx w x
In an equidistant grid, 1st and 2nd order polynomials lead to the same result. This
is why the 1st order polynomial is generally used for the discretization of a diffuse
flow.
The above derivations for the approximation of the convective and diffusive flows
are used in the following example to illustrate a 1D steady-state problem. To ensure
simplicity and clarity, no source and sink terms occur in the example given here (see
also Patankar (1980)).
A differential equation of the form
d%wx d d
D
dx dx dx
where the boundary surface of the control volume in question is characterized by the
corresponding index. Solving the equation leads to the desired value of the variable
in point P:
1 1 ;e ;w ;e
P .%w/e .%w/w C C D E .%w/e
2 2 x x x
;w
C W .%w/w
x
DD
x
with the diffusion flow density D. If the mass flow density and diffusion flow density
are now summarized as per
1
a DD˙ .%w/
2
the discretized differential equation is simplified to:
ap D ae C aw C .%w/e .%w/w
a p P D a e E C a w W
For the algebraic equation of the example above, numerical values will now be
used—and the result obtained will be analyzed for its physical plausibility. The
product cP T will be used as a balance variable . The following variables are also
190 3 Numerical Methods
The coefficients of the algebraic equation are calculated using the given values:
a e E C a w W
P D
ap
Assuming that the neighboring values E and W evince the values E D 200
and W D 100, the balance variable P of the required computational point P is
calculated thus:
1 200 C 3 100
P D D 50
2
This solution is physically absurd, since—on the basis of the data—a linear
decrease in the balance variable P is to be expected in the equidistant grid.
If the numerical values of the neighboring coefficients E and W are exchanged
and the balance variable P of the required computational point P is recalculated,
we obtain:
1 100 C 3 200
P D D 250
2
This solution is also physically meaningless, due to negative coefficients in
the difference equation. The coefficients aE and aW describe the influence of the
neighboring values at E and W on the value of the variable in the point P. Let us
take the temperature as an example: if we assume that TW = const. and the above
conditions aW 0, aE 0 and aP 0 apply, we obtain a formula which shows
that TE increases while TP decreases—and this is again physically meaningless. We
must therefore ensure that the coefficients in the discretized differential equation all
have the same sign, or are all positive. The Stability condition: coefficients 0
applies here.
If we now consider a 1st order (central difference) polynomial, the following
must apply for, e.g., the coefficient ae (as per the stability condition): ae 0.
3.3 Approximation of Surface and Volume Integrals and Interpolation of. . . 191
Therefore
1
a e D De .%w/e 0
2
results in the following after conversion:
.%w/e
.%w/e 2 De respectively 2
De
;e
Substitution of the diffusive flow through De D x gives us
.%w/e x
2
;e
w D W for w > 0
w D P for w < 0
e D E for w < 0
e D P for w > 0
ae D De C max Œ.%w/e ; 0
aw D Dw C max Œ.%w/w ; 0 and
ap D ae C aw C .%w/e .%w/w
The calculation of the coefficients using the given values leads to the following
result: ae D 1, aw D 5, and ap D 1 C 5 D 6. Assuming that the neighboring
coefficients E and W have the values E D 200 and W D 100 (see above),
192 3 Numerical Methods
500 C 200
P D D 116:7
6
or for the case that E D 100 and W D 200, P leads to:
1000 C 100
P D D 183:3
6
As can be seen from the results, an approximation using a 0 order polynomial
always provides positive coefficients—so the method is unconditionally stable.
Hyb indicates the ratio of the mixture between central differences and UPSTREAM
discretization:
• Hyb ! 0 occurs with high Zell Péclet numbers, i.e., only UPSTREAM
differences are used.
• For cell Péclet numbers 2 ) Hyb D 1. In this case, only central difference
discretization is used.
In addition to the variable , the physical characteristic and exchange coefficients
on the surfaces must be expressed.
The simplest option here is linear interpolation. For the equidistant grid, ;w
results in the following:
1
;w D .;W C ;P /
2
And for a non-equidistant computational grid we obtain:
xw xW
;w D fw ;P C .1 fw / ;W where fw D
xP xW
An analog procedure for the y and z coordinate leads to the general form of the
difference equation. In the case of a 1D problem, we obtain the following algebraic
equation:
a p P D a e E C a w W
194 3 Numerical Methods
a p P D a e E C a w W C a n N C a s S C a t T C a b B
The structure of the coefficients depends on the discretization that has been
selected. Using the example of the UPSTREAM method, the coefficients result in
the following:
ae D De C max Œ.%w/e ; 0 ;
aw D Dw C max Œ.%w/w ; 0 ;
an D Dn C max Œ.%w/n ; 0 ;
as D Ds C max Œ.%w/s ; 0 ;
at D Dt C max Œ.%w/t ; 0 ;
ab D Db C max Œ.%w/b ; 0
and
With the help of this discretization, any steady-state balance equation without
sources and sinks can be solved.
For transient problems, the time term (storage term) of the general differential
equation
@%
x y z
@
must also be taken into account. If the temporal course of is approximated over
time through a piecewise linear course of by means of a backward difference
quotient, this results in
@% % %0 0
x y z D x y z
@
where %0 and 0 denote the values at the point in time , and % and denote the
values at the point in time C . Inserting the discretized storage term into the
general differential equation (3.19) in discretized form gives us the following 1D
3.3 Approximation of Surface and Volume Integrals and Interpolation of. . . 195
.%P %0P / x
C .%w/e .%w/w D 0
equation (3.57) can be simplified. To achieve this, the discretized mass balance
is multiplied by P , then subtracted from the integrated (with the Gaussian integral
theorem) balance equation. As per the subtraction shown below we now obtain:
%0P x
ap D ae C aw C Œ.%w/e .%w/w Œ.%w/e .%w/w C
%0P x
D ae C aw C
ae D De C maxŒ.%w/e ; 0
aw D Dw C maxŒ.%w/w ; 0 and
%0P P0
bD x
The difference equation pertaining to the coefficients is as follows:
a p P D a e E C a w W C b
The source and sink term can be a function of the variable in the point P and this
dependency on the variable may be non-linear. Addressing this dependency in the
discretized equation, however, is only possible in the form of a linear dependency.
If the source term is dependent on the variable , the source term must be linearized
as follows:
S D Sc C Sp (3.58)
Here the constant part of the source term is Sc and the proportionate part is Sp .
Sc and Sp can in turn be dependent on , but an iterative solution of the problem is
then required in every case. Convergence of the solution of the algebraic system of
equations is only possible if ap > 0 applies. This is why the source and sink term
is introduced into the coefficient ap as an additive term and into the right-hand side
of the general differential equation as b. For the 1D case of the discretized general
balance equation:
a p P D a e E C a w W C b
P0 %0P x
ap D ae C aw C C Sp
%0P P0
bD x C Sc
Partial differential equations (PDE) can only be solved if the proper boundary and
initial values are given. The problem is then well posed. Programs should be able
to identify incorrectly posed problems and reject them—commercial programs do
generally identify these issues, but not always with a very high degree of reliability.
In the case of steady-state problems, there are basically three types of boundary
values:
• Dirichlet boundary condition
In the case of this boundary condition, the value of on the boundary @˝ is
given,
D 1 .x/
E xE 2 @˝ 1 .x/
E (3.59)
3.4 Boundary and Initial Values 197
@
D 2 .x/
E xE 2 @˝ 2 .x/
E (3.60)
@nE
• Mixed or Cauchy or Robbins boundary condition
In the case of this boundary condition, the value itself and that of the gradient of
is given in the normal direction to the boundary.
@
aC D 3 .x/
E xE 2 @˝; a > 0 3 .x/
E (3.61)
@nE
For the Dirichlet boundary condition, a unique solution exists for the Poisson
equation (e.g., stationary heat conduction with heat sources in the volume). For the
Neumann boundary condition, the solution of the Poisson equation is specified up
to one constant (the temperature level may be as high as desired); but one necessary
condition for the existence of a solution is that the so-called compatibility condition
Z Z Z Z Z
S
2 d˝d@ D d˝ (3.62)
@ ˝ ˝
is satisfied. This means that, e.g., the heat flow as a result of heat conduction over
the surface must be equal to the heat flow of the sources or sinks in the interior of
the volume itself.
In the case of transient problems, the initial conditions must be given, i.e., the
function value of the solution must be known for the entire domain of definition at
the time of starting. The boundary conditions are generally temporally variable, i.e.,
given functions of time.
Eigenvalue Problems
Eigenvalue problems require special treatment. These problems occur, for example,
if a wave equation with homogeneous boundary conditions (i.e., D 0 or @@nE
D 0 on
the boundary) is not addressed as an initial value problem, but the free oscillations
were examined through substitution of a harmonic oscillation.
198 3 Numerical Methods
If the finite volume method is used to calculate flow processes based on the
“primitive variables” pressure and velocity, both the mass and momentum balance
must be satisfied at the same time. Here the conservation equations illustrate an
elliptic-parabolic system of equations. The great difficulty in the calculation of the
velocity field is due to the fact that the momentum balance can only be solved
with known pressure distribution. In the system of balance equations, however,
no conditional equation exists for the calculation of the pressure. Nevertheless,
the pressure is indirectly determined via a coupling of the momentum and mass
balance by the velocity field, since the velocity must satisfy both balance equations
simultaneously.
The difficulties involved in determining the pressure field have led to the
development of different procedures for the calculation of consistent pressure and
velocity fields.
If a 2D problem is to be solved, both stream function and vorticity (see Hoffmann
and Chiang (1995)) can be used to eliminate pressure and velocity from the transport
equations. The continuity equation is used to convert the two momentum balances
in such a way that only these two variables are still included. The continuity
equation is completely eliminated during conversion. The Navier–Stokes equations
for conserving the continuity and the momentum of an incompressible flow are
decoupled into the forms of an elliptical and a parabolic equation, one of which
can be used for solving the vorticity and the other for the stream function. Another
advantage of this method is that in the case of an external vortex free flow, which
connects with the computational domain, the boundary condition for the vorticity
is identically zero. In addition to the above advantages, however, this method also
carries some disadvantages. The value of the vorticity at the wall is very difficult to
specify and can often cause real problems when we try to obtain a convergence
of the method (Patankar 1980). When this method is expanded to include 3D
problems, we obtain six dependent variables—three components of the vorticity
vector and three components of the stream function vector. The level of complexity
involved in determining these six variables is significantly higher than that involved
in formulating the problem by means of the three velocity components and the
pressure. If pressure is also required as part of the solution, any efforts to calculate
it using vorticity will prove to be additionally onerous (Aziz and Hellums 1967).
As regards the methods used for calculating compressible flows1 , it has proved
to be advantageous if the coupling between pressure and velocity is carried out via
1
Whether or not a flow can be described as compressible or incompressible does not depend on
the flow’s density variability alone. Density variations that can be attributed to a strong local
acceleration up to Mach numbers greater than approximately 0.4 can be regarded as being criteria
for the compressibility of a flow. If the density changes are caused by other factors, such as the
heat released in chemical reactions, the flow may be quite incompressible despite strong density
variations.
3.5 Pressure Correction Method 199
and
@% @%wi
C D0 (3.64)
@ @xi
The velocity components wi and the pressure p are the unknown variables of this
equation system. The numerical solution of equations (3.63) and (3.64) must satisfy
both the continuity and momentum balances at the same time.
Figure 3.19 represents a general computational cell in a 1D tube flow. In order to
calculate the flow numerically, we must discretize equations (3.63) and (3.64). This
should be done with the help of the finite volume method presented in Sect. 3.2.3.
@p
The pressure term @x i
of the momentum balance in the direction of the x coordinate
must be discretized by means of integration via the control volume. If the pressure
forces are regarded as surface forces, the pressure term can be integrated with the
Gaussian integral theorem. This gives us the pressure difference pw pe , which
represents the net pressure force on the control volume per surface unit. To calculate
the pressure difference pw pe , we require the pressures at the control volume
surfaces—but the pressure values are only determined at the grid nodes E, W, and
200 3 Numerical Methods
W w P e E
x Δx Control volume
P. This is why the pressure values at the control volume surface (required for the
calculation) must be determined from the values at the grid nodes by means of a
reasonable assumption. To do this, a sectional linear course of pressure between the
grid nodes is assumed. Using linear interpolation, we obtain the required pressure
difference as follows:
pW C pP pP C pE pW pE
pw pe D D (3.65)
2 2 2
If we examine the result of the linear interpolation, we can clearly see that the
pressure difference in the momentum balance is calculated on a computational grid
with a grid spacing which is doubled in comparison to the velocity grid. The pressure
and the velocity are thus decoupled in the grid point P. There is therefore a risk that
an oscillating pressure distribution, as shown in Fig. 3.20, actually is a solution for
the procedure.
From a physical standpoint, however, this pressure distribution can be regarded
as being unrealistic for a flow—but an evaluation of the pressure difference pw pe
results in the value zero for each grid point—so the pressure forces are not taken
into account in the momentum balance.
The discretization of the continuity equation (3.64) for a 1D steady-state flow is
performed in a similar manner and gives us
@%wx
D 0 ) we ww D 0 (3.66)
@x
The assumption of a piecewise linear velocity course leads to
wP C wE wW C wP
we ww D D wE wW D 0 (3.67)
2 2
3.5 Pressure Correction Method 201
y
x Control volume p
P e E
being consistent. The pressure difference between each grid node acts as a natural
driving force for the velocity components between these computation points.
However, if no equidistant computational grid exists, the different-sized control
volumes cause increased memory requirements for storing the geometric data, such
as surfaces and distances, which are required for calculating the coefficients on the
staggered grid. The computational effort also rises due to the constantly recurring
interpolation of the state variables at the staggered grid—and the programming of
the code is also associated with increased time and effort.
In addition to the procedure described here for the displacement of the velocity
components, other methods are also used, such as the partial-displacement approach
of the ALE (Arbitrary Lagrangian–Eulerian) method as per Hirt et al. (1974). Here
the velocity components are stored at the vertices of the control volume for the
pressure. This variant has particular advantages when the computational grid is
not orthogonal, since in this case the pressure need not be given as a boundary
condition—the inherent disadvantage of ALE, however, is that it is possible to
obtain an oscillating pressure and velocity field.
A selection of iterative methods for determining the pressure and velocity field
is shown below—applied to the staggered computational grid. All these pressure
correction procedures have one thing in common—they all sought a method which
would make it possible to find a velocity field that would satisfy both the continuity
equation and the momentum balance at the same time. Many of these pressure
correction methods represent a further development of the “SIMPLE” procedure—
and due to the importance of this procedure, the SIMPLE algorithm (Semi Implicit
Method for Pressure Linked Equations) is explained in detail below, as a starting
point for the clarification of the individual pressure correction methods.
Velocity Correction
The starting point for the iterative determination of the solution is an estimated
pressure field2 p , which, through the solving of equations (3.69) to (3.71), gives us
an estimated velocity field w for all elements of the computational domain. This
field, however, fulfills the mass balance rather inaccurately.
X
ae wx;e D ax;nb wx;nb C bx C pP pE Ae (3.69)
nb
X
an wy;n D ay;nb wy;nb C by C pP pN An (3.70)
nb
X
at wz;t D az;nb wz;nb C bz C pP pT At (3.71)
nb
p D p C p0 and (3.72)
wx D wx C w0x (3.73)
Equation (3.73) also represents the two velocity components wy and wz . Inserting
equations (3.72) and (3.73) into the discretized momentum balances gives us
X
ae wx;e C w0x;e D ax;nb wx;nb w0x;nb C bx C pP p0P pE p0E Ae
nb
(3.74)
X
an wy;n C w0y;n D ay;nb wy;nb w0y;nb C by C pP p0P pN p0N An
nb
(3.75)
X
at wz;t C w0z;t D az;nb wz;nb w0z;nb C bz C pP p0P pT p0T At
nb
(3.76)
2
The * denotes the individual estimated or inaccurate variables of velocity w and pressure p,
respectively
204 3 Numerical Methods
corrections:
X
ae w0x;e D ax;nb w0x;nb C p0P p0E Ae (3.77)
nb
X
an w0y;n D ay;nb w0y;nb C p0P p0N An (3.78)
nb
and
X
at w0z;t D az;nb w0z;nb C p0P p0T At (3.79)
nb
Disregarding the velocity changes in the neighboring cells and solving equa-
tions (3.77) to (3.79) for velocity results in the velocity correction for, e.g., the
x-coordinate direction
w0x;e D de p0P p0E (3.80)
where
Ae
de D (3.81)
ae
and
wz;t D wz;t C dt p0P p0T (3.84)
Pressure Correction
.%0P %P / x y z
bD C .%wx /w .%wx /e y z
C .%wy /s .%wy /n x z C .%wz /b .%wz /t x y
(3.86)
aW D .%w y z/ dw (3.87)
aE D .%e y z/ de (3.88)
aN D .%n x z/ dn (3.89)
aS D %s x z/ ds (3.90)
aT D .%t x y/ dt (3.91)
aB D .%b x y/ db (3.92)
and
aP D aW C aE C aN C aS C aT C aB (3.93)
The coefficient b represents the error in the continuity equation. The error itself is
caused by the velocity w and therefore represents a suitable measure of the quality
of the solution that has been found. b D 0 means that both momentum and mass
balances have been satisfied in the individual control volumes.
6. Balancing of all state and transport variables required for the calculation, such as
density % or dyn. viscosity .
7. If a convergence is achieved, the iteration is terminated, otherwise iteration will
continue for the newly calculated velocity, pressure, and enthalpy field from
step 2.
P
Subtraction of the term nb ax;nb w0x;e from both sides of Eq. (3.94) provides a
more consistent approximation
X X
ae ax;nb w0x;e D ax;nb w0x;nb w0x;e C p0P p0E Ae (3.95)
nb nb
P In contrast0
to the derivation used in the SIMPLE method, the expression
0
a
nb x;nb .wx;nb wx;e / on the right-hand side of Eq. (3.95) is now disregarded.
Since the velocities w0x;nb and w0x;e are of the same order of magnitude, the difference
between them is very slight and this ultimately leads to smaller pressure corrections.
According to Van Doormaal and Raithby (1984), Noll (1993), or Latimer and Polard
(1985), under-relaxation of the pressure correction can be completely eliminated.
As shown in Walter and Weichselbraun (2002b), attenuation may be necessary for
numerical reasons—not the correction of the variable was under-relaxed, but the
variable itself.
The form of the resulting relationship for the velocity correction equation in the
x-coordinate direction corresponds to Eq. (3.82):
wx;e D wx;e C de p0P p0E (3.96)
Using the SIMPLE pressure correction method, we only obtain the correct pressure
field after several iterations (Noll 1993).
P This is due to disregarding the velocity
0
changes in the neighboring cells nb anb wnb of the equations (3.77) to (3.79),
even with an exact velocity field at the beginning of the iterative calculation. This
disregard generally leads to a very strong under-relaxation proving necessary—and
the convergence of the method is thus very slow (Lee and Tzong 1992). This poor
convergence behavior was one of the factors that motivated Patankar to consider
a change in the SIMPLE algorithm. In 1980, Patankar presented the “SIMPLE-
Revised-Algorithm” (SIMPLER) in Patankar (1980). The algorithm circumvents
this drawback and therefore produces improved convergence behavior. The time
gained by the swifter convergence of the method cannot be fully implemented,
however, due to the increased computational effort per iteration step. According
to Patankar (1980) this additional expenditure in arithmetical operations should,
however, be more than offset by the increased rate of convergence. In this method,
the pressure field is directly calculated and no longer determined by means of a
pressure correction equation.
In the derivation of the equation for calculating the pressure field, Patankar focuses
on the discretized momentum balance, defining a “pseudo-velocity” wO by means of
the following:
P
ax;nb wx;nb C bx
wO x;e D nb
(3.98)
ae
P
ay;nb wy;nb C by
wO y;n D nb
(3.99)
an
and
P
az;nb wz;nb C bz
wO z;t D nb
(3.100)
at
208 3 Numerical Methods
The equations (3.98) to (3.100) are only formed via the neighboring velocities—
they do not include the pressure p. Equations (3.82) to (3.84) now become
and
wz;t D w
O z;t C dt .pP pT / (3.103)
where
Ae An At
de D ; dn D and dt D (3.104)
ae an at
aP pP D aE pE C aW pW C aN pN C aS pS C aT pT C aB pB C b (3.105)
The coefficients for determining the pressure field, aE to aB of Eq. (3.105) are
identical to those of the pressure correction equation (3.85). Only the formation
of the residual b differs from that in Eq. (3.85) through the use of the pseudo-
O
velocity w.
.%0P %P / x y z
bD C .%wO x /w .%wO x /e y z
(3.106)
C .%wO y /s .%wO y /n x z
C .%wO z /b .%wO z /t x y
1. As a starting point for the iteration (and in line with the SIMPLE method), we
assume estimated values for all required state and transport variables.
3.5 Pressure Correction Method 209
2. The coefficients for the momentum balance are determined with the help of
the estimated velocity field. This is followed by using the relationships (3.98)
to (3.100) for the calculation of the pseudo-velocity wO for all control volumes of
the computational domain.
3. Solving the conditional equation for the pressure (3.105) results in the improved
pressure field.
4. The balance equations for the momentum Eq. (3.69) to Eq. (3.71) are solved on
the basis of the newly determined pressure field. This results in the estimated
velocity field w .
5. Solution of the pressure correction equation (3.85) for all grid points of the
computational domain.
6. Correction of the velocity field by means of equations (3.82) to (3.84).
7. Calculation of the difference equations for those variables which affect the mass
and momentum balances. One example of this is the energy balance for the
working fluid.
8. Balancing of all state and transport variables that are required for the calculation.
9. Checking the convergence. If the convergence criterion is achieved, the iteration
is terminated; otherwise iteration will continue with the newly determined
variables from step 2.
If the momentum balance equation (3.68) is written according to the above notation,
we obtain the following for the x-component of the velocity:
X
ae wx;e D ax;nb wx;nb C bx C pnP pnE Ae (3.107)
nb
210 3 Numerical Methods
where
Ae
de D (3.110)
ae
and
wO x;e D wx;e de pnP pnE (3.111)
Equation (3.107) represents the predictor step, while Eq. (3.109) represents the
first correction step for the velocity field.
Inserting Eq. (3.109) into the discretized continuity equation provides the rela-
tionship for the pressure correction equation. This is identical to Eq. (3.105) of the
SIMPLER method, although the coefficients must be calculated using Eq. (3.106),
O
Eq. (3.87) to Eq. (3.93) and Eq. (3.111) to determine the velocity w.
By subtracting Eq. (3.108) from Eq. (3.112) we obtain the second correction
equation for the velocity in the direction of the x-coordinate:
w OO x;e C de p p
x;e D w P E (3.113)
with
P
ax;nb .w
x;nb wx;nb /
wOO x;e D w nb
x;e de pP pE C (3.114)
ae
Issa (1985), Issa et al. (1986), Jang et al. (1986), and Chuan and Schreiber (1990)
are also describing the PISO method as a noniterative algorithm, i.e., a procedural
method for the pressure–velocity coupling of the discretized transport equations for
the working medium for mass and momentum.
As Weichselbraun (2001) was able to illustrate in his work, however, in the case
of tasks that are associated with a phase change of the working fluid, deviations
in the solution occur when using the PISO method as a non-iterative algorithm.
The transition from the single-phase state to the two-phase state of, e.g., water is
associated with non-linearities in the state variables of the working fluid. Lomic
(1998) illustrates just how great the impact of phase change on the stability of a
pressure correction method can be based on his studies of the SIMPLE algorithm.
To address the influence of the energy balance and the coupling of pressure,
density, and temperature (through the equation of state) on the result of the
calculations, Issa (1985) expanded the two correction steps with a third. In this
extended process, the energy balance is solved by means of an explicit step before
the third pressure correction.
According to Ferziger and Perić (1999) this third correction step is only rarely
used in the practical implementation of the method—indeed, Ferziger and Perić
(1999) also state that the above-described PISO method is the basis for an iterative
procedure.
Changes in the physical state can occur in simulated flow processes in energy
and process engineering. The iterative solution involving two correction steps is
therefore preferred, since the discontinuities (in the state variables) associated with
the phase change exert a great influence on the desired solution of the method.
The iteration schema for the PISO algorithm is briefly described below:
1. Start of the iteration of the new time step, based on the solution for pressure
and velocity field of the previous time step’s as start values.
2. The predictor values for the velocity field w and w O for the first correction step
(Eq. (3.111)) are determined from the pressure field of the previous iteration
step, pn , based on the momentum balance (Eq. (3.107)).
3. Inserting the velocity wO in the defining equation (3.105) for the pressure field
gives us the estimated values for pressure p .
4. Calculation of the velocity field w by correcting the field w using the explicit
Eq. (3.109).
5. Determination of velocity w OO using Eq. (3.114).
6. Based on the velocity field w,OO the corrected pressure field p is calculated by
solving Eq. (3.105).
212 3 Numerical Methods
7. Performing the second explicit step (Eq. (3.113)) now gives us the twice-
corrected velocity field w .
8. Calculation of the difference equations that affect mass and momentum bal-
ances.
9. Balancing of all state and transport variables that are required for the calcula-
tion.
10. Repeating steps 2 through 9 until a sufficiently accurate solution is found.
11. Continuing with the next time step.
If we compare the iterative schemes of the SIMPLER and PISO methods, we
see that steps 2 and 3 of the PISO algorithm are identical to those of the SIMPLER
pressure correction method. The PISO algorithm, however, utilizes a higher order
of pressure and velocity correction for finding the solution.
For many years, the calculation of the velocity components on a staggered com-
putational grid was the only known way to perform the coupled calculation of the
velocity and pressure field in incompressible flows. Noll et al. (1989) were able to
show, however, that despite the staggered computational grid in the discretization of
the transport equations in curvilinear coordinates (associated with the formulation
of the momentum balance in Cartesian velocity coordinates), decoupling of the
pressure and velocity field can occur. This problem of non-orthogonal grids with
Cartesian velocity coordinates and the higher level of effort and expenses described
above have led to the development of algorithms that allow a coupled solution of
the transport equations for momentum and mass on a non-staggered computational
grid.
With the so-called Pressure-Weighted Interpolation Method (PWIM)), Rhie and
Chow (1983) presented a method that permits the application of the SIMPLE
algorithm to a non-staggered computational grid. Three different methods, none of
which require any staggering of the computational grid, were presented in 1984 by
Shih and Ren (1984).
y S
x
3.5 Pressure Correction Method 213
The discretized momentum balance (written for the grid point P) for determining
the velocity in the x-coordinate direction wx;P on the equidistant computational grid
results in the following:
P
ax;nb wx;nb C bx;P 1 AP
wx;P pW pE
nb
D C (3.116)
ax;P 2 ax;P
This is created using the estimated pressures pW and pE at the neighboring
calculation points. Using the velocities wx;P –and based on the SIMPLER method
- the pseudo-velocities
P
ax;nb wx;nb C bx;P 1 AP
D wx;P
nb
wO x;P D pW pE (3.117)
ax;P 2 ax;P
and
P
ax;nb wx;nb C bx;E 1 AE
D wx;E
nb
wO x;E D pP pEE (3.118)
ax;E 2 ax;E
of the computing points P and E are created. In line with the proposal of Rhie and
Chow (1983), the pseudo-velocities thus determined are then interpolated by means
214 3 Numerical Methods
of
" P P #
1 ax;nb wx;nb C bx;P ax;nb wx;nb C bx;E
wx;e
nb nb
D C
2 ax;P ax;E
" #
1 AP AE
C C pP pE (3.119)
2 ax;P ax;E
to obtain the definitive velocity for the mass balance at the control volume surface e.
Substituting the pseudo-velocities with equations (3.117) and (3.118) and using the
abbreviated
" #
1 AP AE
de D C (3.120)
2 aP aE
1
wx;e D wO x;P C wO x;E C de pP pE (3.121)
2
The determination of the velocities in the coordinate directions not explicitly
shown here (viz. in the y direction in 2D and in the y and z directions in 3D) takes
place analogous as illustrated here.
The special characteristic of equations (3.119) and (3.121) is that the velocity at
the control volume surface is dependent on the pressure of two neighboring cells—
and this is also the basis for the calculation of the staggered computational grid. So
the method for the non-staggered grid also indirectly complements the idea of the
staggered grid—and the same pressure correction methods can also be used here for
the non-staggered computational grids. Here the velocities must be determined in
such a way that they satisfy the mass balance
1
wx;e D wO x;P C wO x;E C de .pP pE / (3.122)
2
In line with the SIMPLE method, the correction of the velocity is carried out by
means of
and
Inserting the relationships (3.123) to (3.125) into Eq. (3.122) and subsequently
subtracting Eq. (3.121) gives us the equation correcting the velocity in the x-
coordinate direction
w0x;e D de p0P p0E (3.126)
3.6.1 Basics
Due to the enormous global increase in total primary energy consumption in recent
decades, there are distinct signs that the watershed for the availability of fossil
fuels has already been reached. Long-term energy availability has a major impact
on the economic and social development of every country, in particular on the
maintenance of high standards of living in developed countries and—increasingly—
in developing countries, so security of supply is in the strategic interest of all nations.
Politicians are also focusing on reducing the proportion of burned fossil fuels and
consequently the reduction in carbon dioxide emissions, which, as greenhouse
gases, are inextricably linked to global warming. One efficient solution is the
optimization of existing and planned thermal power plants, which play an important
role in the production of electrical and thermal energy. This approach involves the
development of new strategies to increase the performance and efficiency of thermal
power plants.
In the energy sector the fluidized bed reactors have a rising tendency, simply
because they are firing systems with comparatively low NOx - and SO2 emission
levels; and they also open up the potential use of a wide range of fuels, such as
coal, biomass, and fuel mixtures. Fluidized beds consist of particles through which
gases or liquids flow—and the interactions convert the gas-solids mixture into a
fluid-like state. Distinctions are made between steady-state and circulating fluidized
beds, depending on the fluidizing velocity. Fluidized bed technology can be found
in various industrial processes, due to its very high heat and mass transfer rates.
These include granulation, coating, SO2 - and CO2 separation processes (Epple and
Stroehle 2008), and the gasification and combustion of solid fuels.
In systems for the conversion of solid fuels (e.g., fluidized beds), a great
variety of physical and chemical processes occurs—and of these, the multiphase
flow and thermo-chemical reactions play an important role. The description and
characterization of single-phase flows have been studied extensively for a long
time now. In contrast to this are the inadequately researched reactive and non-
reactive multiphase flows, in which industry and science are now evincing a
special interest. At least two different phases with different material characteristics
separated by phase boundaries typically exist in these flows. Depending on the phase
characteristics, two-phase flows mainly occur in practice and these are classified into
gas–liquid, liquid–solid, and gas–solid flows. While in gas–liquid flows one of the
two phases exists in dispersed form, only the solid matter is present in liquid–solid
and gas–solid flows as a dispersed phase. It is primarily the reactive gas–solid flows
(with regard to the gasification and combustion of solid fuels) which are the focus
of research in the energy industry. The modeling, characterization, and in-depth
understanding of these flows currently present a major challenge.
Nowadays, the design and optimization of plants with fluid–solid flows are
based mostly on experimental studies, but these are complex and expensive. And
3.6 Discrete Element Method 217
transport equations. This method for describing a two-phase system is much more
flexible with regard to the ascertainment of various transport phenomena. Individual
particle–particle/wall collisions can only be addressed through additional model
assumptions in the Euler–Euler description. With the Euler–Lagrange approach, on
the other hand, particle–particle/wall collisions can either be modeled stochastically
or detected deterministically. If a collision is detected using a stochastic approach,
the only collision procedural method that can be used is the so-called Hard Sphere
Model. With this model, single binary collisions are addressed and modeled as
instantaneous processes—and this is why the use of the hard sphere model is
limited to thin fluid–solid systems. After the collision, the particle characteristics
are calculated using the momentum equations, the energy equation, and the particle
characteristics before the collision. In the case of deterministic collision detection,
the procedural method can make use of the hard sphere model as well as from
the so-called Soft Sphere Model. In the soft sphere model, also known as the
Discrete Element Method (DEM), force-velocity path changes occurring in the
particle during the collision are determined. To this end, the particle–particle/wall
interactions are described by a mechanical system (spring-damper-slider model).
The first DEM models were developed by Cundall (1979), Tsuji et al. (1991), and
Tsuji et al. (1993) and since then they have been used to analyze many dense fluid–
solid flows on a laboratory scale.
Addressing the contact forces which occur during the impacts can greatly affect
the efficiency of the entire flow and combustion model and qualitatively affect
the results obtained. Additionally the heat and mass transfer rates are also highly
dependent on the particle geometries (Blasi 1998). This means that large particles
imply correspondingly large temperature gradients and longer particle residence
times. The particle shape has a certain influence on pyrolysis, which can be regarded
as being a key element of combustion due to its complexity. Compared to spherical
particles with the same volume, ellipsoid particles require more time to attain total
pyrolysis. The yield of volatile components and gases is predominant in the case
of the spherical particles, while in the case of the ellipsoid particles, the remaining
pyrolysis products predominate (Gera et al. 2002; Babu and Chaurasia 2004).
In recent years, the Euler–Lagrange approach with DEM has often been used to
simulate non-reactive fluid–solid flows. For this purpose, various numerical models
were developed to determine the dynamic variables in fluidized beds—here the
calculation of the particle movement is based on DEM. The particle contact forces,
adhesive forces, and the forces acting on the particles were also addressed in these
studies. Some authors such as Link et al. (2005) and Chiesa et al. (2005) compared
the 2D simulation results of Euler–Lagrange-DEM models with Euler–Euler models
and measurement data from fluidized bed pilot plants. Compared to continuous
models, the results of the DEM calculations evince a significantly better match
with the experimental results. However, the DEM-based simulation is proving to
be very costly in terms of computer time and effort. By breaking down the entire
computational domain into smaller sub-domains, other researchers Götz (2006),
Tsuji et al. (2008), and Alobaid et al. (2013) were able to simulate 3D, non-reactive,
fluidized beds in parallel.
3.6 Discrete Element Method 219
the given solid into a fluid, which now has all the fluid-typical characteristics.
The “granular temperature”—defined in the KTGF—represents a dimension for the
fluctuations of particle velocities and the transport values can in turn be determined
by means of this temperature.
If the continuum hypothesis is true, i.e., if the number of particles (or fluid
molecules) in each control volume is sufficiently large, all flow variables can be
displayed as statistical averages in each balance volume of the entire computational
domain. The continuum assumption is tested for validity using the Knudsen number
Kn, which describes the ratio of the mean free path length l to the characteristic
length lchar as follows:
l
Kn D (3.127)
lchar
l refers to the mean path length traveled by one particle until the next collision
with another particle and lchar is calculated via the volume V CV of the grid cell in
question:
p
3
lchar D V CV (3.128)
Since the mean free path of the particle phase for dense fluid–solid flows is small
(Kn 103 ), the two-fluid method can be used in this case (see Fig. 3.25).
If the continuum hypothesis is not satisfied (Kn > 1), neither the quasi-single-
phase method nor the two-fluid method can be used. In steady-state and circulating
fluidized beds, for example, the distribution of solids in the fluid phase indicates
distinct inhomogeneities. For gas whiskers (plumes) and bubbles in which the solid
mass fraction is very low or even non-existent, the continuum assumption does
not apply if the spatial resolution is insufficient. The continuum hypothesis can be
fulfilled by reducing the grid resolution—however, it leads to poorer resolution of
local inhomogeneities (see Fig. 3.26).
More restrictions on the use of the two-fluid method for dense fluid–solid flows
are due to KTGF, which is only suitable for a specific range of particle velocity
fluctuations as a function of granular temperature. Götz (2006) and Kanther (2003)
studied the Maxwell–Boltzmann distribution of particle velocities in order to make
a statement about the suitability of the two-fluid method for dense fluid–solid
flows. Kanther (2003) and Götz (2006) used the single-particle method to carry
Kn
-8 -6 -4 -2 1 +2 +4
10 10 10 10 10 10
Δx Δx
Δy
Δy
Fig. 3.26 Fulfilling the continuum hypothesis by reducing the grid resolution
out fluidized bed simulations in which the particle velocities were determined on
the basis of their momentum equations. In many areas of the computational domain,
the results of the Euler–Euler simulations evince considerable deviations from those
obtained through Maxwell’s particle velocity distribution. The maximum deviations
occur in the transition region between the dilute and high loaded phases, in which
partially bimodal distributions may be present—however, these are not included in
the KTGF. The impact of distribution functions on the accuracy of the two-fluid
method is still under research and requires further investigation. For the above-
mentioned reasons, the application of the two-fluid method for computing dense
fluid–solid flows is fraught with numerous uncertain issues—so in these cases
experimental validation of the simulation results is essential.
In general, the use of the two-fluid method is limited to monodisperse multiphase
flows, but the calculation of polydisperse fluid–solid flows is possible in principle.
However, addressing different particle sizes leads to an increase in computational
time and consequently higher computational costs, because each particle size class
must be considered as a separate phase.
On the other hand, with the single-particle method (Euler–Lagrange approach),
the solid phase is regarded as being the disperse phase, i.e., a set of transport
equations is solved for each particle. For both the quasi-single-phase and the two-
fluid method, the single-particle method represents an alternative approach and
becomes more important proportionally with each increase in solid content. This
method was first used for the dynamic analysis of molecular clusters and particle
systems. Using the so-called Splitting Technique proposed by Bird (1976), the
calculation of solids is divided into two consecutive steps: In the first step—the free
flight phase—the simultaneous calculation of all particle trajectories and angular
changes (for a particle time step size) is usually carried out by means of the explicit
Euler method:
Z P
C
Z P
C
The translational velocity wEP and the rotational velocity ˝E P of a particle for
P
the particle time step P are determined based on the forces k FEPk ./ and the
P
moments of force k M E Pk ./ acting on the particle:
Z P
C
Z P
C
E P . C P / D ˝E P ./ C
˝ aEP ./ d (3.132)
1 X E
aEP ./ D M Pk ./ : (3.134)
JP k
In the momentum equation (3.133), surface forces are all addressed; these include
drag and pressure forces, electrostatic forces, contact forces, etc., as well as volume
forces which include gravity and buoyancy. In addition to translational movement,
the time change of the rotational movement is calculated for each particle by
means of the momentum conservation equation (3.134). The particle–particle/wall
collisions that are not taken into account in the free flight phase are now calculated
in the second step. The collision process is divided into collision detection and the
collision procedural method, whereby collision detection plays a special role as
regards the efficiency of the algorithm used. The occurrence of a collision event
can be calculated either stochastically or deterministically. In collision detection
by means of a stochastic approach, the collision procedural method can only be
executed using the hard sphere model, whereas deterministic collision detection can
be associated with both hard sphere and soft sphere models. Which approach is
more suitable for a particle–particle/wall collision procedural method depends on
how high or low the average particle velocity is and to what degree the fluid–solid
flow is laden. At low particle velocities, like those found in bubbling fluidized beds,
the hard sphere model causes considerable difficulties in the ascertainment of the
simultaneous multi-collisions of a particle. In contrast to the hard sphere model,
3.6 Discrete Element Method 223
the soft sphere model has the disadvantage that at high particle velocities such as
in spouted fluidized beds, relatively small particle time step sizes must be used,
increasing the computational effort involved. The hard sphere model is suitable for
the description of collisions in dilute fluid–solid flows, while the soft sphere model
is mostly used in the computation of dense multiphase systems. The differentiation
between dense and dilute fluid–solid flows can take place in accordance with various
criteria. One distinguishing feature is the mass flow ratio of solid to fluid, whereby
systems with values greater than 15 (Marcus et al. 1990), 20 (Leva 1959), or 80
(Kunii and Levenspiel 1969) are regarded as being dense flows. Yet another criterion
is the porosity, which describes the ratio of the fluid to the total volume. Porosity
values smaller than 90 % characterize dense multiphase flows. A disperse system
can also be described as dense if the particle–particle interactions are not negligible
in comparison to particle–fluid interactions (Soo 1989). Crowe (1982) denotes dilute
or dense fluid–solid flows based on the influence of particle–particle collisions
on the particle trajectories. In this context, the Stokes number Stk is introduced
(analogous to the Knudsen number); it indicates the ability of particles to follow
the surrounding fluid flow. It is formed from the ratio of the relaxation time P;relax
of the particle to one time scale char which characterizes the fluid flow:
P;relax
Stk D (3.135)
char
lbrake
P;relax D ˇ ˇ (3.136)
ˇwEP ˇ
ˇ We ˇ obtain the stopping distance lbrake when a particle with an initial velocity
ˇwEP ˇ is discharged into a quiescent fluid and comes to rest after a certain stopping
distance. The stopping distance can be calculated under the assumption of laminar
flow around the particle and is proportional to the particle velocity. The characteris-
tic time is defined as:
l
char D ˇ ˇ (3.137)
ˇ ˇ
ˇwEf ˇ
ˇ ˇ
ˇ ˇ
where ˇwEf ˇ is the average fluid velocity and l is a characteristic length of the flow
system. While in dense fluid–solid flows Stk > 1 (i.e., the particle trajectory deviates
relatively greatly from the flow line in the case of a flow change), Stk < 1 describes
dilute fluid–solid flows in which the particle path line is strongly oriented to the flow
lines.
In summary, it can be stated that the single-particle method is suitable for fluid–
solid flows and in particular for the detailed resolution and investigation of physical
224 3 Numerical Methods
and chemical processes. It should be noted that the advantages of both methods
can be brought to the calculation by coupling the two-fluid method and the single-
particle method in the form of the so-called hybrid method—with this method, the
computational domain is basically divided into two sub-domains. The two-fluid
method is used in the sub-domain in which the continuum hypothesis is fulfilled,
while the single-particle method is used in combination with the soft sphere or hard
sphere model in the remaining domain and on the walls. Although the hybrid method
has been realized by several authors (Kanther 2003; Grüner 2004), it is unsuitable
for dense fluid–solid flows due to its inhomogeneous distribution of solids.
Today’s stochastic collision models represent the most important method for
the description of particle–particle/wall collisions—thanks to their high level of
efficiency, they so far offer the only way to numerically manage practice-relevant
fluid–solid flows using single-particle methods. Due to the stochastic nature of the
collision detection, these models are often summarized as the so-called Monte-
Carlo methods. The original stochastic collision detection model originated with
O’Rourke (1981), who calculated the probability of collision for each particle
pair in the grid cell using a Poisson distribution, where the computational effort
is proportional to the square of the number of particles (O.N/2 ). In contrast, the
model by Oesterle and Petitjean (1993), extended by Sommerfeld (1996), evinces
a linear dependence (O.N/). The basic idea of the latter model is based on the
sequential determination of the particle trajectories. Here sequential means that the
movement of the individual particles remains unaffected by the presence of the
remaining particles. Nevertheless, information should also be included about the
other particles in order to calculate collisions between particles. To this end, mean
values of the required variables are calculated, such as particle velocities or particle
concentrations and the standard deviations of certain variables in each grid cell. This
local statistical data now forms the basis for creating a virtual collision partner, the
properties of which are given by the local mean values in the vicinity of the real
particle. The determination of the probability of a collision occurrence between the
currently considered particles and the virtual particle is derived from the data of the
particle collective. Whether or not a collision event subsequently occurs is decided
by a random number. When a collision is detected, the subsequent deterministic
collision procedural method uses the hard sphere model, utilizing the properties
of the real and of the virtually generated particles. The information thus gained
3.6 Discrete Element Method 225
about the velocity of the real particle is stored in memory and the virtual particle
is eliminated. If no collision takes place, the velocity of the real particle remains
unchanged. The major disadvantage of the collision detection model proposed by
Oesterle and Petitjean (1993) is that the conservation of the particle’s kinetic energy
cannot be guaranteed, even in the case of fully elastic collisions. Also the model
expansion by Sommerfeld (1996), which addresses local velocity fluctuations using
a partial correlation of the velocity fluctuations of neighboring particles, could not
even eliminate this flaw (Hußmann 2008).
The most effective and accurate stochastic collision detection method is the
modified Nanbu Babovsky method (Nanbu 1980; Babovsky 1989). It is derived
from the original Nanbu model for the prediction of molecule collisions in rarefied
(dilute) gas flows and from the approximation of the solution of the Boltzmann
equation. Like the model by Oesterle and Petitjean (1993), the computational
complexity of the Nanbu Babovsky model is linearly proportional to the number
of particles, but it is also energy-conserving in collisions. It is presumed that the
calculation of the probability of collision heavily influences the accuracy of the
simulation results and the efficiency of collision detection. Since stochastic collision
detection models do not limit the particle volume in the balance volume, however,
unrealistic effects may occur, especially in dense multiphase flows, such as solid
volume fractions greater than unity. As a result, stochastic collision detection models
are used mainly for dilute fluid–solid flows (Götz 2006).
While the selection of the collision partners in stochastic collision detection models
is carried out by a random number, the deterministic methods involve the checking
of each particle for a possible collision with another particle or with the wall after
the free flight phase. Compared to stochastic collision models, the deterministic
models provide users with the ability to select either an adaptive or a constant
particle time step size (see Fig. 3.24), the use of which makes collision detection
more accurate. Here the particle time step size is adjusted during the course of
the simulation in such a way that no collision event takes place between and
C P —a particle can only collide with another particle or with the wall at
the point in time C P . The calculation of the particle time step size can be
carried out by specifying the intersections of all the particle trajectories with one
another and with the wall (see Sect. 3.6.6). This event-oriented method was first
proposed by Hoomans et al. (1996). It is mainly characterized by a high degree of
accuracy, since the collision partners and the collision time are exactly specified. In
the event-oriented method, a collision might only occur when the possible collision
partners move towards one another, i.e., the scalar product of the relative velocity
wEPij D wEPi wEPj and the position vector rEij D rEi rEj takes on a negative value
(see Fig. 3.27). The state of motion of the particles is determined by means of the
hard sphere method after a collision has occurred (see Eq. (3.141) and Eq. (3.142)).
The particle position and rotation angle are then calculated by means of the single-
226 3 Numerical Methods
wPij
wPj
Particle i
wPij Particle i
wPj wPi
wPj
wPi
rij rij
y y wPj
ri ri
rj rj
Particle j
x x Particle j
rij wPij > 0: Collission not possible rij wPij< 0: Collision possible
Fig. 3.27 Necessary condition for the occurrence of a collision in the event-oriented method
rPi
n
Particle i Wall
Fig. 3.28 (a) Particle–particle and (b) particle–wall collision in the soft sphere model (DEM)
particle method (see Eq. (3.129) and Eq. (3.130)). Event-oriented methods can be
used efficiently, particularly in dilute fluid–solid flows, in which the mean free
path length of the particles is relatively large, resulting in large particle time step
sizes. In contrast, dense multiphase flows cannot achieve the efficiency advantages
that exist in dilute systems, because of the smaller mean free path lengths of the
particles—and frequent collision events per time unit as a result. Although the
variable particle time step size enables a more accurate picture of the physical
processes in comparison with the constant particle time step size, it does require
a significant programming effort during the implementation phase. The use of
variable particle time step sizes with parallelized algorithms generally leads to
asynchronisms between the computational nodes—and consequently to a loss of
efficiency.
In deterministic collision detection with a constant time step size, the particles
can penetrate one another or the wall after the free flight phase (see Fig. 3.28).
Contact forces result from the overlap. These forces lead to changes in the particles’
velocity and are dependent on the depth of penetration • involved. This mode
3.6 Discrete Element Method 227
After collision detection, the subsequent collision procedural method can take place
with both the hard and the soft sphere models depending on the collision detection
model used—this is described in detail in the next section.
Fig. 3.29 (a) Particle–particle and (b) particle–wall collision in the hard sphere model
˝E P.i;j/ describe the translational velocity, mass, position vector, and the rotational
velocity of the particles i and j. Determining the state of motion of a particle caused
by a particle–wall collision is based on the conditions that the wall has an infinite
radius and the value of the translational and rotational speeds is zero.
The relative velocity at the contact point wEPij —addressing the differences in
velocity of the particle centers and of the two rotational speeds around the relevant
particle centers—is calculated as follows:
wEPij D wEPi wEPj C rPi ˝E Pi C rPj ˝E Pj nEij (3.138)
The normal unit vector nEij —the origin of which is located at the point of contact
between the two particles—is oriented from the center of the particle j to the center
of the particle i and is defined as follows:
rEi rEj
nEij D ˇ ˇ (3.139)
ˇrEi rEj ˇ
The tangential unit vector tEij is derived from the relative velocity before the
.0/
collision wEPij and the normal unit vector as follows:
.0/ .0/
wEPij nEij wEPij nEij
tEij D ˇ ˇ (3.140)
ˇ .0/ .0/ ˇ
ˇwEPij nEij wEPij nEij ˇ
3.6 Discrete Element Method 229
By using the second and third Newtonian axiom we obtain the translational and
rotational velocities of the collision partners from the following equations:
.0/ IEPij
wEPi D wEPi C
mPi
(3.141)
.0/ rPi nEij IEPij
˝E Pi D ˝E Pi C
JPi
.0/ IEPij
wEPj D wEPj
mPj
(3.142)
.0/ rPj nEij IEPij
˝E Pj D ˝E Pj C
JPj
where JP is the mass inertia moment, IEPij is the momentum vector of the particle,
and the superscript index (0) represents the situation before the collision.
E
The transition from Eq. (3.141) and Eq. (3.142) as per the relationship .nE I/
E
nE D I n. E
E I n/
E and after insertion into Eq. (3.138) leads to:
7IEPij 5nEij IEPij nEij
.0/
wEPij wEPij D (3.143)
2mPij
2
JP D mP rP2 (3.145)
5
In the case of particle–wall collisions, the mass of the particle j (i.e., the wall) is
assumed to be infinitely large and mPij D mPi therefore applies. In order to determine
the translational and rotational velocities after the collision, the momentum vector
must be known, but this requires an exact description of the physics of collision. A
large number of collisions, typically 106 to 109 collisions per particle time step size
is used for the simulation of fluid–solid flows. The physical laws of the collision
can be simplified to a certain degree in order to reduce computational time without
230 3 Numerical Methods
The combination of Eqs. (3.143) and Gl. (3.146) leads to the normal component
of the momentum vector:
.0/
n
IPij D .1 C en / mPij wEPij nEij (3.149)
IEPij D IPij
n t E
nEij C IPij tij (3.151)
3.6 Discrete Element Method 231
The basic idea of the soft sphere model is fundamentally simple—because in this
case the trajectory of each particle in the system is calculated using Newton’s second
law and kinematic relationships, taking into account all the relevant acting forces.
Typical forces here are gravity, drag, the contact force caused by collisions and
adhesive forces. In the case of particle shapes in 2D/3D, we restrict ourselves to
circles or spheres for simplicity’s sake—but the structure of more complex particle
geometries can be achieved by combining circles and spheres into particle clusters.
One key advantage of DEM lies in the examination of concurrent collision
events of one single particle with several collision partners. If simultaneous multiple
collisions occur, the resulting contact force is the sum of the individual collision
forces. Compared to the Euler–Euler model, one positive benefit of the Euler–
Lagrange model (used with DEM) is the fact that polydisperse systems can also
be calculated with relatively little additional effort. In the case of the Euler–Euler
model, each particle size class is considered as a separate phase and must therefore
be taken into account by means of additional conservation equations. Regardless
of particle size distribution, a set of balance equations is generally solved for each
particle with DEM.
The contact force (to which the particle in question is subject during the
collision) is modeled on the basis of a mechanical analog, such as a damper-
spring-slider model system. In this case, the dissipation of kinetic energy is also
taken into account. The contact forces which consist of normal and tangential
components are re-determined in each particle time step. We use the single-particle
method to determine the translational and rotational acceleration of the particle (see
232 3 Numerical Methods
Eqs. (3.133) and (3.134)), taking the contact forces and the other surface and volume
forces into consideration. We obtain the translational and rotational velocities of
the particles by means of time integration of the corresponding equations (see
Eqs. (3.131) and (3.132)). The particle trajectories and the angular changes can then
be calculated from the time integration of the latter two equations.
In the simulation of fluid–solid flows, DEM also has a major advantage—detailed
information on dynamic system behavior is available through the positional tracking
of each particle. On the other side of the coin, the analysis of the particles as
discrete elements involves a considerable amount of computational effort. The use
of more efficient approaches (only introduced in recent years) not only reduces
computational time, but it also enables the calculation of dense multiphase flows
with acceptable simulation time and realistic results. Some important methods are
listed and explained below:
• Multi-grid method: The calculation of the physical variables of the continuous
phase in each fluid cell is carried out by applying an iterative method to
the discretized conservation equations. In a 1D case, the number of iterations
required for a converged solution is linearly dependent on the number of nodes.
Almost all iterative solution methods converge on finer grids with a higher
degree of accuracy, but they require considerably more computational time. It
is therefore advisable to first use a coarse grid to generate a starting solution for
the fine grid—this will not only reduce the computational effort, but it will also
retain the higher degree of accuracy of the fine grid. This procedure—known
in the relevant literature as the Multi-grid method—has become more and more
important in the last ten years, simply because it solves the transport equations
very efficiently (Ferziger and Perić 2005). The multi-grid method, however,
requires the different grid planes to be geometrically arranged with one another—
a fine grid and several increasingly coarse grids are used, whereby the individual
grid planes are interleaved with one another (see Fig. 3.30). By combining a
plane’s neighboring cells, we obtain a coarsely structured grid for the next higher
plane. The first coarse grid plane is thus created from the previously generated
fine grid and the following coarse grid is created from the previous levels. The
F1 F1
F2
F1 F1 F1: Fine fluid cells of the first fluid grid plane
F3
F2 F2 F2: Coarse fluid cells of the second fluid grid plane
F4
F3: Coarse fluid cells of the third fluid grid plane
(a) (b)
f
x Particle
grid resolution ratios of two successive grid planes can be varied using grid
factors.
• Average particle grid: For reasons of numerical simplification, both the physical
values of the solid and the fluid phases are determined in one common grid.
However, this presupposes that the dimensions of the largest particle must be
smaller than those of the smallest grid cell. By introducing an additional coarse
grid—the so-called Average Particle Grid—the resolution of the existing fluid
grid can be varied, regardless of particle scale. Since the average particle cell
contains several fluid cells, the fluid cells must be assigned to the corresponding
particle cells. This now enables the transfer of the fluid variables onto the particle
grid through averaging (see Fig. 3.31b). The pressure and velocity gradients
of the fluid can be calculated in the particle cells—and we can use these
gradients to determine the fluid–particle interaction forces and moments of force
(see Fig. 3.31a). The translational and rotational velocities of the particles and
their new positions are derived from the momentum and angular momentum
conservation equations. The porosity "P is then determined by dividing the total
volume of the particles in a particle cell by the volume of the particle cell. The
average particle velocity wEP and porosity "f D 1 "P in a cell are transferred
by means of interpolation to the fluid cells to which they are assigned (see
Fig. 3.31c) and the conservation equations of the fluid phase are now solved (see
Sect. 3.6.5).
• Advanced algorithms for collision detection: In terms of efficiency and accuracy,
collision detection is crucial; it is indirectly given between particles by the
distances between the relevant particles. The standard algorithm for distance
calculation goes through all the combinations of pairs, regardless of their relative
distances. This means that in each particle time step, even particle distances
(and consequently contact variations) that are obviously impossible are also
determined. With the particle search grid, the problem area is divided into finite
cells containing the particles which are present there. As a result of the particle
234 3 Numerical Methods
search grid, a particle can only come into contact with particles of its own cell or
with those of its immediate neighboring cells. Disregarding any collisions with
particles of more remote cells thus reduces computational complexity and costs.
The particle search grid is a virtual grid and it is independent of the fluid and
average particle grid. However, the use of the particle search grid requires that
the particles are assigned to the particle search grid cells and that the generated
list is updated after every time step (see Sect. 3.6.4).
• Parallelization: Due to the associated acceleration, the parallel calculation of a
computational domain on several processors is extremely important. Here we
must divide the problem domain into several blocks, within which the solutions
for the Navier–Stokes equations, the pressure correction equation, the energy
conservation equation, the particle trajectories, and the species transport equa-
tions can then be determined. The procedural method for the solid phase is carried
out (like the calculation of the fluid phase) in the predefined sub-domains—but
each processor manages only those particles which are in its assigned sub-
domain. A particle may leave the sub-domain at the domain boundaries and
either enter the neighboring sub-domain or collide with particles of other sub-
domains at the boundary. Communication between the computational domains
and consequently the processors is guaranteed by a Message Passing Interface
(MPI), which exchanges messages between the distributed computers during
parallel calculations. In order to estimate the dependence of the computational
costs on the number of processors, Alobaid et al. (2010) performed calculations
for a laboratory-scale fluidized bed, for which he used 25000 identical glass
beads with a diameter of 2.5 mm and a density of 2500kg/m3 .
In Fig. 3.32 we can see that the computational time per time step initially
decreases as the number of processors increases. This is because fewer calcu-
lations per core have to be performed, thanks to the smaller blocks. True, the
data transfer procedures mean that the computational effort comprises a relatively
large proportion of the total computation time—even with a smaller number of
Average calculation time
300
per time step [s]
250
200
150
100
50
1 3 5 7 9 11 13 15 17 19
No. of computational domains (processors) [-]
Fig. 3.32 Computational time when varying the number of computational domains according to
Alobaid et al. (2010)
3.6 Discrete Element Method 235
For the mathematical description of particles in a flow field, we start with Lagrange
coordinates that relate to the particle centers. The change in the state of motion of a
single particle is due to the forces FEPk and moments of force M E Pk acting upon it:
dwEP 1 XE
D F Pk (3.153)
d mP k
d˝E P 1 X E
D M Pk (3.154)
d JP k
E P;compl D
M ME tP;Cont C E rP;Cont
M C ME f !P
„ ƒ‚ … „ ƒ‚ … „ƒ‚…
Tangential contact moment Rolling friction moment Fluid-particle
„ ƒ‚ … interaction moments of force
moments of force between the particles
due to short-range forces
(3.156)
3.6 Discrete Element Method 237
Particle j Ω Pj
wPj
wPi wPk
FP,bouy,i
t
FP,Cont,ij n
Ω Pk
FP,Cont,ij
wPn
FP,Van,in FP,Adh,f,ik
Ω Pi
FP,grav,i Particle k
Ω Pn FP,Elst,in
2l
FP,drag,i Particle i
Particle n
Fig. 3.34 Volume and surface forces acting on the particle
The forces are divided into volume and surface forces, some of which are shown
in Fig. 3.34. While volume forces like gravity, buoyancy, electrical, and magnetic
forces act on all the matter of a body, surface forces act on the surface of a body—
and these forces include drag, Bassett, Saffmann, pressure, radiometer, Magnus,
contact forces, and adhesive forces without physical links (Van der Waals force
and electrostatic force), plus adhesive forces with physical links (liquid and solid
bridges). Particle rotation can occur—this is either caused by a collision with
another particle or a wall, or by an actual velocity gradient in the flow field.
Depending on the application, it is usual to disregard certain forces or moments
of force in Eqs. (3.155) and (3.156) as a result of their subordinate importance.
Volume forces, surface forces, and moments of force are described in detail in
the following sections.
Volume Forces
Volume forces also known as body forces or field forces are long-range forces—
they are produced by an external field (gravity field, magnetic field, and electrical
field) and act independently of the current flow configuration on the particles.
Volume forces decrease with the square of the distance, apart from those in the
immediate vicinity of the bodies. Volume forces include weight, buoyancy, electric
and magnetic forces. The gravity FEP;grav is obtained from the product of mass
and gravitational acceleration. Buoyancy FEP;bouy occurs in liquids and gases and
is directly inverse to the force of gravity. The electric force FEP;el is obtained from
the product of the charge and the electric field strength. The magnetic force FEP;mag ,
238 3 Numerical Methods
also known as the Lorentz force, describes the force exerted by an electromagnetic
field on a moving electric charge.
Surface Forces
Where surface forces are concerned, we differentiate between forces which act on
the particle from the fluid (fluid–particle interaction forces FEf !P ) and those which
are created as a result of particle–particle interactions (FEP;Cont , FEP;Adh ).
y
wf wf
FP,Bas
wP wP
FP,drag FP,Bas
x
wf / y = 0 wf / y = 0
wf - wP 0 wP / x 0
Drag force Basset force
y
wWa wf
FP,Mag
FP,Saf wf,o P
wf + PrP
wf wP
wf - P rP
wf,u
x
wf / y 0 wf / y = 0
wP / x = 0 P = const.
Saffman force Magnus force
direction. The acting shear force FEP;Saf was studied by Saffman—and it has
since been known as the Saffman force.
• If a particle moves at a constant velocity in a flow field that is subject to
pressure gradients, a compressive force FEP;pr —which acts inversely to the
pressure gradient—acts on the particle surface.
• If a particle moves at a constant velocity in a flow field in which fluid
temperature gradients exist, or in a flow field that is irradiated by a non-
uniform light source, the so-called radiometric force FEP;Rm is created—and
this force acts inversely to the temperature gradient.
4. Particle rotation at a constant angular velocity in an isotropic flow field: In this
case, the self-rotation of the particle causes different relative velocities between
the locally differing velocities of the particle surface and the constant approach
velocity of the fluid. This results in a pressure gradient on the particle surface,
leading in turn to the diversion of the particle in the direction of the higher relative
240 3 Numerical Methods
Short-range forces such as adhesive and contact forces also influence particle
motions. These forces act between particles and particles and walls. These contact
forces must be taken into account due to particle–particle/wall collisions that are
particularly relevant in dense multiphase flows and especially in fluidized beds.
These are described in detail in the next section.
Contact Force
(a) (b)
t
n
rPj Particle j rP,i
A
Particle i
Ω Pj
nij Ω Pi
wPj wPi wPi
t ij
rj Ω Pi y n
y B
ri ri
Particle i t iWa Wall
rPi niWa
x x
Fig. 3.36 (a) force created by a particle–particle and (b) a particle–wall collision
3.6 Discrete Element Method 241
tEij at the contact point, as per Eq. (3.139) and Eq. (3.140). Taking into account the
differential velocity of the two particle centers and the two rotational velocities
around the respective particle centers, we obtain the relative velocity at the contact
point from:
with the normal fraction wEnPij and the tangential fraction wEtPij :
ˇ ˇ
wEnPij D nEij nEij wEPij D nEij nEij wEPi wEPj D ˇwEnPij ˇ nEij
ˇ ˇ (3.158)
wEtPij D wEPi wEPj C rPi ˝E Pi C rPj ˝E Pj nEij wEnPij D ˇwEtPij ˇ tEij
In contrast to the hard sphere model, the contact point is not represented by
a point in the soft sphere model, but as a surface in 3D and as a line in 2D.
This transition range between the two particles—which corresponds to a physical
deformation—is characterized by the normal penetration depth •n and the tangential
penetration depth •t , which is required for determining the frictional force:
ˇ ˇ
•n D rPi C rPj ˇrEi rEj ˇ (3.159)
The tangential penetration depth cannot be explicitly calculated from the particle
positions—it must be calculated from the time integration of the tangential relative
velocity at the contact point:
Z
ˇ t ˇ
• D
t ˇwE ˇ d (3.160)
Pij
0
The distribution of the contact force on the transitional surface can be broken
down into normal and tangential components. With the known contact force
distribution on the contact surface, we can determine the resulting contact force and
the moment of force. However, the determination of the contact force distribution
proves to be very complex and time consuming, since it depends on a variety of
geometric and physical factors—these factors include the particle’s shape, material
properties, and states of motion. This is why simplified models are used to calculate
the forces and moments of force resulting from collisions in fluid–solid flows. The
mechanical equivalent model to determine the contact force is based on the well-
known Voigt–Kelvin model, which describes the visco-elastic and time-dependent
behavior of the collision. The Voigt–Kelvin model is made up of a Hook’s spring and
a Newtonian damper connected in parallel. The spring describes the purely elastic
collision, i.e., the reversible deformation, while the damper represents the time-
dependent, irreversible deformation. Since only the normal contact force can be
shown in the Voigt–Kelvin model, a sliding element must also be integrated in order
242 3 Numerical Methods
t ktP Damper n
P,Da P,Da
Tangential Normal
contact force contact force
n
Spring k P
Particle i Particle j
Fig. 3.37 Mechanical analog on to model the contact force as per the expanded Voigt–Kelvin
model
to determine the tangential contact force (see Fig. 3.37). With this equivalent model,
the collision can be presumed to be either elastic or inelastic. An elastic collision
is characterized in that the sums of the kinetic energies of the collision partners are
the same before and after the collision—and neither damping forces nor frictional
forces occur. In the case of an inelastic collision, however, the sum of the kinetic
energies is reduced relative to its initial value, since a fraction thereof is converted
into internal energy or sound. In this case, the dissipation of the kinetic energy is
modeled by damping and sliding elements. In order to accelerate a particle from
a standstill, the adhesive friction between it and its contact partners must first be
overcome. Adhesive friction is modeled in the Voigt–Kelvin model by means of the
damping element, while addressing the sliding friction that occurs in the presence
of a relative velocity is carried out by the sliding element dyn .
We obtain the resultant contact force acting on the particle i by adding all the
collision forces which act simultaneously between the particle and other particles
and walls:
X
kDN
FEP;Cont;compl;i D FEnP;Cont;ik C FEtP;Cont;ik (3.161)
kD1
k¤i
The index N gives the number of collision partners in contact with particle i.
The normal contact force (based on the Voigt–Kelvin model) is derived from the sum
of the elastic spring force and the damping force—it is described by the differential
3.6 Discrete Element Method 243
dwEnPij
FEnP;Cont;ij D mPij D kPn .•n /a nEij
nP;Da wEnPij (3.162)
d „ ƒ‚ … „ ƒ‚ …
FEnP;Spring FEnP;Da
where kPn represents the spring stiffness and
nP;Da the damping parameter in
the normal direction. We can realize several spring contact models by varying the
exponent a in Eq. (3.162). The linear approach (a D 1) by Hooke, also used by
Cundall (1979) in his DEM model, evinces a satisfactory degree of accuracy in
most applications. In contrast, non-linear approaches (a ¤ 1), as suggested by
Maw et al. (1976) and Hertz (1982), improve the accuracy of the force curve—
these do, however, lead to a higher degree of computational complexity, because
the geometrical and physical property changes of the colliding particles during the
collision have to be taken into account. Various approaches based on the Hertz
contact theory have been developed to calculate the normal contact force and—
in contrast to the Hertz contact theory—these approaches take elastic and inelastic
collisions into account. In their non-linear visco-elastic models, Tsuji et al. (1991)
and Lee and Herrmann (1993c) specified the value of 1.5 for the exponent a. The
kPn and
nP;Da variables must first be determined in order to ascertain the normal
contact force. Since the damping parameter is derived from the spring stiffness, the
spring constant must first be calculated. The spring constant kPn (used for non-linear
approaches with the Hertz theory), determined from the particle radii rPi and rPj ,
Poisson’s numbers (transverse deformation numbers) q;Pi and q;Pj , and the shear
moduli GPi and GPi of the two particles, is now obtained from:
0 11:5
B C
B 1 C
kPn B
D Bs C (3.163)
2 C
@ 3 9 rPi C rPj 1 q;Pi 1 q;Pj A
C
64 rPi rPj GPi GPj
The shear modulus (which describes the linear elastic deformation of a body
caused by shear stress) and Poisson’s number (which enables the calculation of the
transverse contraction of the body) represent material characteristics and can be
experimentally determined by means of a flexural or tensile test. Typical values
for the shear moduli and Poisson’s ratios for different materials are specified in
Table 3.3 as per Gerhartz (2000).
In order to determine the spring constant for linear approaches, we require fewer
variables which describe the real mechanical particle characteristics. In Hooke’s
approach, where a linear dependency exists between the spring force and the
244 3 Numerical Methods
Table 3.3 Shear moduli and Material Shear modulus ŒGPa Poisson’s number Œ
Poisson’s numbers of various
materials (Gerhartz 2000) Aluminum 26 0.34
Glass 31 0.17
Iron 80 0.29
Alumina 153 0.23
penetration depth, the spring constant kPn is determined from the maximum normal
contact force FEnP;Cont;max and the maximum normal penetration depth •nmax :
ˇ ˇ
ˇ En ˇ
ˇF P;Cont;max ˇ
kPn D (3.164)
•nmax
If we can estimate the maximum relative velocity between the colliding partners,
we can then calculate the occurring maximum normal contact force and the
maximum normal penetration depth. According to Di Renzo and Maio (2004), the
required maximum values can be determined through the use of a complex, non-
linear model. The resulting spring constant lies within the range from 105 to 107
N/m and is highly dependent on the material pairings. A spring constant of a higher
order of magnitude, however, requires a very small particle time step size, one which
can hardly be realized with the computing power available today. The particle time
0:5
step size P kPn can be increased by selecting a smaller spring constant.
Previous numerical DEM studies performed by Tsuji et al. (1993) showed that
varying the spring constant over several orders of magnitude has only a slight impact
on the final result. Tsuji et al. (1993) therefore recommended a spring stiffness of
800 N/m and this was subsequently used by many authors. However, Di Renzo
and Maio (2004) ascertained that the proposed value (800 N/m) can cause normal
penetration depths that are equivalent to the particle diameter multiplied by up to 74
times. The result is that today we find spring constants being used in practice that are
two to three orders of magnitude smaller than those proposed by Di Renzo and Maio
(2004). For further information on the calculation of the critical spring constant,
please refer to Sect. 3.6.6. To determine the resultant normal contact force, the
spring constant kPn and the damping parameter
nP;Da (required for determining the
damping force) must be calculated. In inelastic collisions, the dissipation of kinetic
energy is described by the coefficient of restitution in the normal direction. The
coefficient of restitution en is defined as the ratio of the normal relative velocities at
the contact point before (index (0)) and after the collision:
ˇ ˇ
ˇ n ˇ r
ˇwEPij ˇ H
e Dˇ
n ˇD (3.165)
ˇ n .0/ ˇ H .0/
ˇ.wEPij / ˇ
3.6 Discrete Element Method 245
2 ln.en /
˛P;Da .en / D p ; for en ¤ 0 (3.167)
2 C .ln.en //2
whereby this correlation (shown in Fig. 3.38) can be applied to both particle–particle
and particle–wall collisions.
One correlation similar to that in Eq. (3.167) can be derived from the completely
non-linear approach of Tsuji et al. (1991) in dimensionless form. As expected—
and according to Götz (2006)—the differences between the completely linear and
non-linear approaches with respect to the damping proportion are relatively low
(see Fig. 3.38), since the coefficient of restitution is only a function of the absolute
velocities before and after the collision.
Solving the differential equation (3.162) (addressing the completely linear
approach and using the initial conditions) gives us:
1.0
Coefficient of restitution e n [-]
0.8
0.6
0.4
Fig. 3.38 Correlation between the normal coefficient of restitution en and the constant ˛P;Da .en /
3.6 Discrete Element Method 247
where
nP;Da
DnP D (3.171)
2mPij
Relative velocity in the normal direction after the collision can be determined by
deriving the normal depth of penetration with respect to time:
d•n
wEnPij D nEij (3.172)
d
Having determined the variables kPn , •n ,
nP;Da , and wEnPij , the resultant normal
contact force FEnP;Cont;ij can now be calculated as per Eq. (3.162)—and this can lead
to a tensile force. This only occurs if the two particles move away from one another
again and the damping force FEnP;Da (now acting as a tensile force) constitutes a larger
proportion of the normal contact force than the spring force FEnP;Spring (due to a large
damping parameter).
The modeling of the resulting tangential contact force is based on the damper-
spring-slider model system, where it assumes either the (static) adhesive force or
the (dynamic) sliding friction force. The selection of the appropriate frictional force
is carried out as per the following differential equation:
dwEtPij
FEtP;Cont;ij D mPij
d
8 t a ˇ ˇ ˇ ˇ
ˇ ˇ ˇ ˇ
ˆ
ˆk P •
t
tP;Da wEtPij ; if ˇFEtP;Adh ˇ ˇFEtP;slid ˇ
ˆ
ˆ „ ƒ‚ … „ ƒ‚ …
ˆ
ˆ FEt
ˆ
ˆ FEtP;Da
ˆ
<„ P;Spring
ƒ‚ …
D Et (3.173)
ˆ
ˆ ˇ FP;Adh ˇ ˇ ˇ ˇ ˇ
ˆ
ˆ ˇ ˇ ˇ ˇ ˇ ˇ
ˆ
ˆ dyn ˇFEnP;Cont;ij ˇ tEij ; if ˇFEtP;Adh ˇ > ˇFEtP;slid ˇ
ˆ„
ˆ ƒ‚ …
:̂ t
FEP;slid
where kPt is the tangential spring constant,
tP;Da is the tangential damping parameter,
and dyn is the dynamic friction coefficient (coefficient of sliding friction). As per
248 3 Numerical Methods
the threshold function (3.173), the lesser of the two frictional forces acts in the
tangential direction. The tangential contact force can be described by means of a
completely linear approach or through completely non-linear models (depending on
the required accuracy of the tangential contact force curve). Non-linear approaches
(a ¤ 1; b ¤ 0) of differing degrees of complexity have been published by Mindlin
and Deresiewicz (1953), Maw et al. (1976), and Walton (1992). In these models, the
particles experience purely elastic collisions, as long as the resulting contact force
lies below a specified threshold. If the threshold is exceeded, the collision partners
become subject to elastic–plastic deformations. In general, non-linear models tend
to involve more computational effort and a more complex implementation than
the linear approach. This is why we usually base a description of the tangential
contact force on a linear approach (a D 1; b D 0) in DEM simulations. To
ascertain the tangential contact force, the spring stiffness kPt , the damping parameter
tP;Da , and the dynamic friction coefficient dyn must be determined. The tangential
spring constant is calculated using the normal spring constant kPn and the material
characteristics as follows:
1 q;Pi 1 q;Pj
C
kPt GPi GPj
n D 1 0:5 1 0:5q;Pj
(3.174)
kP q;Pi
C
GPi GPj
2 ln.ˇ t /
˛P;Da ˇ t D p (3.176)
2 C ln.ˇ t /2
c D .1 cos '/
where
tP;Da
DtP D : (3.184)
2mPij
250 3 Numerical Methods
The relative velocity in the tangential direction after the collision can be
determined by deriving the tangential penetration depth with respect to time:
d•t
wEtPij D tEij (3.185)
d
The resulting contact force can be ultimately ascertained from the sum of the
normal and tangential components using the coefficient of restitution, the spring
constant, and the dynamic friction coefficient. It has been already explained that the
above-mentioned constants are functions of the mechanical material characteristics.
The selection of these constants has a decisive influence on the accuracy and validity
of the results. In order to determine constants which are as useful as possible, we can
either derive them from the mechanical characteristics of the system or from direct
measurements. The dynamic friction coefficient can be obtained from experiments,
e.g., carried out as per Kharaz et al. (2001). The ratio of the tangential to the normal
spring constant can be calculated by means of the shear moduli and Poisson’s
number of the collision partners. By specifying or calculating the normal spring
constant as per Eq. (3.163), the tangential spring constant can be determined from
Eq. (3.174).
Adhesive Forces
The behavior of the solid phase is affected by the formation of adhesive forces
between the particles with one another as well as between particles and the wall.
The adhesive forces are highly dependent on the particle diameters, the density
of the solid phase, and the material combinations. According to Schubert (1979),
adhesive forces can be divided into two categories depending on their mode of
origin—namely adhesion forces with and without physical links (see Fig. 3.39).
The adhesive forces without physical links include the following attraction forces:
1. The Van-der-Waals force FEP;Van , which manifests itself as an attraction force,
stems from van der Waals. He postulated this as a result of the non-existence
of ideal gases. It describes the dipole–dipole interactions between atoms or
molecules. This is a very short-range interaction and is only relevant for small
particles. Lifshitz continued working with this model to tackle these small
particles—and to this end, he adjusted the proportionality factor (Hamaker
coefficient) between force and particle radius.
2. Electrostatic force FEP;Elst is an important variable in fluid–solid flows. It occurs
between surfaces with opposite-polarity charges. During particle–particle or
particle–wall collisions, different surface charges may be generated by the
passage of electrons, provided that different material pairings exist. On the other
hand, the particles can already carry excess charges caused by, e.g., previous
friction, crushing or electron adsorption. While particles with opposite-polarity
charges attract one another, particles with the same polarity charge repel one
another.
Adhesive forces with physical links are based on the formation of a material bond
between particle–particle or particle–wall. This link may be caused by solid bridges
(sinter bridges, melt bridges, or adhesive links), or by wetting of the particle’s
surface (adsorption layers or floating liquid bridges) with an adhesive, but at the
same time non-bonding fluid. The attraction force generated by adsorption, i.e.,
through the addition of a liquid or gas to the surface of a solid, is described as
adhesion force. It acts on the interphase and is heavily dependent on the moisture
content of the ambient fluid. In the event of a collision or by falling below a critical
clearance distance, collision partners (the surfaces of which are wet with a liquid
film due to adsorption) can create the formation of liquid bridges, thus causing
the formation of adhesive and cohesive forces. Here the cohesive forces represent
attraction forces acting between the atoms or molecules of the same substance.
It is well known that even small amounts of liquid may have a significant impact
on the movement of particles in fluid–solid flows. The moisture can lead to the
formation of stable liquid bridges between particle–particle and particle–wall, thus
creating adhesion force. A liquid bridge between two particles is shown in Fig. 3.40.
Schubert (1979) and Lian et al. (1993) are of the opinion that we can disregard the
influence of gravity and buoyancy force on liquid bridges for particle diameters less
252 3 Numerical Methods
y
Particle i Particle j
penv penv
y(x)
rPi c
nij A P,f nji
Fenv Ff Ff Fenv
0
FP,Cont rP,f x FP,Cont
2l
than 1 mm. Based on these assumptions, we can determine the resulting adhesive
force between two spherical particles with radius rP by adding two forces:
1. The acting contact force FEP;Cont resulting from the surface tension at the contact
line of the three phases (solid–liquid–gas) and
2. the capillary force FEP;Cap .
The capillary force is obtained by multiplying the pressure difference between
the ambient pressure penv and the pressure prevailing at the interphase between the
liquid of the bridge and the particle pf with the cross-sectional area AP;f . If the
liquid bridge has a biconcave shape (see Fig. 3.40) (often found in water bridges), a
capillary vacuum exists in the interior of the liquid bridge. According to Lian et al.
(1993), the resulting adhesive force between two particles, FEP;Adh;f , which acts in the
direction of the collision normal vector nE is calculated by the following equation:
0 1
B C
FEP;Adh;f D B
@2r
2 2C
E
P sin ' sin. C '/ C rP p.sin '/ A n (3.186)
„ ƒ‚ … „ ƒ‚ …
FEP;Cont FEP;Cap
The geometry of the liquid bridge is determined by the liquid’s surface tension
, the bridge length 2l, the particle radius rP , the boundary or contact angle , and
the filler angle 2' (see Fig. 3.40). A liquid bridge is formed only when the distance
between the particles is shorter than the critical length of the bridge. The calculation
of the adhesive force requires knowledge of the liquid bridge’s geometry. One way
to determine the adhesive force is based on the so-called Toroidal assumption by
Fisher (1926). It regards the meridian profile of the interphase between the bridge’s
liquid and the ambient fluid of the bridge as being the segment of a circle. Using
the Toroidal assumption, we can determine the resulting adhesive force (as per
Hotta et al. (1974)) using the boundary pressure method, the boundary method,
or the neck or gorge method. In the case of the boundary pressure method and the
boundary method, the adhesive force on the solid–liquid interphase is estimated,
whereas with the gorge method the adhesive force is approximated to the smallest
3.6 Discrete Element Method 253
cross-sectional area of the liquid bridge. Lian et al. (1993) found that the difference
between the numerical solution and the Toroidal assumption was less than 10 %,
when the exact shape of the liquid bridge (e.g., hyperboloid, nodoid) was taken
into account. However, the Toroidal assumption leads to a liquid bridge surface, the
mean curvature of which is not constant—and this is inconsistent with the Young–
Laplace equation (by means of which we determine capillary force). In addition,
the adhesive force cannot be expressed as an explicit function of the fluid volume
and the distance between the two particles. Yet another disadvantage of the Toroidal
assumption lies in the fact that the critical bridge length cannot be estimated. As
an alternative to the Toroidal assumption, the calculation of the capillary force
(as in Lian et al. (1993) and Mikami et al. (1998)) can be carried out by solving
the Young–Laplace equation in dimensionless form. The Young–Laplace equation
correlates the pressure difference and the mean curvature of the interphase between
the liquid of the bridge and the ambient fluid. Mikami et al. (1998) developed a
simulation program based on DEM and addressing the adhesive force created by a
liquid bridge. This meant that the agglomeration of wet particles in fluidized beds
could now be calculated successfully. The results of the numerical simulations are
shown in Fig. 3.41 and are correlated with the parameters A, B, and C by regression
analysis:
ˇ ˇ
ˇE ˇ
ˇF P;Adh;f ˇ 1
D exp A C B C C (3.187)
rP rP
Zxc
2
V D 2 y2 .x /dx .1 cos '/2 .2 C cos '/ (3.188)
3
0
2.0 4
rP rP rP
(a) (b)
-5 -5
1.5 V =2 10 3 V =2 10
[-]
[-]
* 2l * l
-4
V =2 10 -4
FP,Adh,f / ( rP
= 0 [deg] = 0 [deg]
FP,Adh,f / ( rP
* V =2 10
*
1.0 -3
= 10 2 = 10
-3
V =2 10 = 20 V =2 10 = 20
* *
-2 = 30 -2 = 30
0.5 V =2 10 1 V =2 10
* = 40 * = 40
= 50 = 50
0.0 0
0.0 0.1 0.2 0.3 0.4 0.0 0.05 0.1 0.15 0.2 0.25
2l / rP [-] l / rP [-]
Fig. 3.41 Dimensionless adhesive force applied (a) to the dimensionless length of the bridge
between two spheres and (b) between a sphere and a wall as per Mikami et al. (1998)
254 3 Numerical Methods
To calculate the parameters for the adhesive force between two particles, we use
the following correlations:
AP;P D 1:1V0:53
BP;P D .0:34 ln.V / 0:96/ 2 0:019 ln.V / C 0:48 (3.190)
CP;P D0:0042 ln.V / C 0:078
and for the adhesive force between a particle and a wall we use the following
equations:
AP;Wa D 1:9V0:51
BP;Wa D .0:016 ln.V / 0:76/ 2 0:12 ln.V / C 1:2 (3.191)
CP;Wa D 0:0013 ln.V / C 0:18
To determine the dimensionless critical bridge length l;crit D lcrit =rP between
two particles the following applies:
In order to model the adhesion force using the above correlations, Mikami et al.
(1998) based his work on the following assumptions:
1. The particles have a spherical shape and the same diameter.
2. The dynamic force caused by viscosity is negligible compared to the static
adhesive force caused by surface tension.
3. The number of liquid bridges formed per particle corresponds at maximum to the
number of the coordinate axes.
4. All particles are wetted with a liquid film of constant thickness—and in a 3D
case, the liquid film per particle is sufficient for up to three liquid bridges.
5. Falling below the critical length of the bridge between two particles leads to the
formation of a liquid bridge.
3.6 Discrete Element Method 255
(a) (b)
Vf
VVV
Particle
Fig. 3.42 Pure bridge region (a) and transition zone (b)
6. If the critical length of the bridge between two particles is exceeded, the liquid
connection is severed and the liquid is distributed to the collision partners in
equal parts.
7. Assumptions 2, 5, and 6 are applied to the interaction between a particle and a
wall.
Physically satisfactory results are only obtained from the above correlations for
isolated liquid bridges (see Fig. 3.42a), which develop at relatively low moisture
ratios. An increase in the proportion of liquid results in a transition zone in which
liquid bridges and liquid-filled pores can coexist (until we enter the purely liquid-
filled area). If the interstices of the agglomerate are partly or completely filled with
liquid, the adhesive forces acting between the particles can no longer be determined.
To determine the range of validity of the above equations, the so-called liquid
saturation level Sf is introduced; this gives us the ratio of the fluid volume Vf to
the void volume VVV of the agglomerate:
Vf
Sf D (3.194)
VVV
According to Schubert (1979), the border lies between the bridge region and
the transition zone which itself lies between Sf D 0:2 and Sf D 0:4. The liquid
of the bridge must be redistributed to the collision partners involved when the
critical length of the bridge has been exceeded. The redistribution of liquid volume
to the individual collision partners is currently based on three different principles.
Mikami et al. (1998) not only put forward that the bridge shape in existing liquid
bridges is symmetric (rotational symmetry about the x-axis, axially symmetrical
relative to the y-z-plane; see Fig. 3.40); but he also held that the liquid is uniformly
distributed on the particles when separation occurs. This assumption, however,
requires that the transportation of liquid between the colliding partners (especially
relevant for the redistribution of fluid and particularly during dissolution of the
liquid bridge) is disregarded when the viscosity of the liquid is sufficiently low. In
contrast to Mikami et al. (1998), Muguruma et al. (2000) assumes that particles can
be wetted with various amounts of liquid. In the two above-mentioned methods,
256 3 Numerical Methods
the meridian profile of the interphase between the liquid of the bridge and the
ambient fluid is regarded as being parabolic. Geometrically (monodisperse system)
and materially identical particles (i.e., with the same wetting angles) are also taken
as a basis. And the separation of the liquid bridge takes place exactly in the center,
due to its symmetrical geometry. In contrast, during the formation of a liquid
bridge, uneven wetting angles are formed between two monodisperse particles of
different material composition and between two polydisperse particles of the same
or different composition. Since the bridge neck is not centered between the two
particles, but is located closer to the particle with the greater wetting angle, it holds
back the smaller liquid portion when separation occurs. Shi and McCarthy (2007)
calculated the adhesive force taking polydisperse particles into account. Since Shi
and McCarthy (2007) assumed that the moisture distribution in the flow field was
heterogeneous, individual particle surfaces could be wetted with different amounts
of liquid. This meant that for any collision in which at least one collision partner
is wetted, the volume of the liquid bridge had to be separately determined—but the
calculation of this is now proving to be relatively time-consuming. The total volume
of the existing liquid bridge is obtained from the sum of the two partial volumes Vfi
and Vfj (see Fig. 3.43):
Zxc;i
1
Vfi D y2 .x/dx .1 cos 'i /2 .2 C cos 'i / (3.195)
3
xk
Zxc;j
1
Vfj D y2 .x/dx .1 cos 'j /2 .2 C cos 'j / (3.196)
3
xk
i ci y(x)
j
rPi cj
i 0 k rPj
j x
HPj Particle j
Particle i
HPi
2l
Fig. 3.43 bridge between (a) particles with different radii and wetting angles and (b) representa-
tion of the separation process
3.6 Discrete Element Method 257
Alternatively, we can use Eq. (3.195) and Eq. (3.196) to express the total volume
of the liquid bridge through the heights of the particle caps HPi and HPj :
Zxc;j
2
Vf D y2 .x/dx 3
3yc;i HPi C HPi C 3y2c;j HPj C HPj
3
(3.197)
6
xc;i
Furthermore, after the critical length of the bridge has been exceeded, the
redistribution of the liquid is not assumed to be basically uniform; instead it is
calculated by means of the following equations:
Zxc;i
2
Vfi0 D y2 .x/dx 3
3yc;i HPi C HPi (3.198)
6
xmin
Zxc;j
2
Vfj0 D y2 .x/dx 3
3yc;j HPj C HPj (3.199)
6
xmin
where Vfi C Vfj D Vfi0 C Vfj0 applies, based on the mass conservation. We obtain the
heights of the particle caps from the radii of the colliding partners:
s 2
2 rPi rPj
HPi DrPi rPi ;
rPi C rPj
s 2
(3.200)
2 rPi rPj
HPj DrPj rPj
rPi C rPj
To determine the liquid transport between the particles, however, the thinnest
point (xmin D xk;rupt ) of the liquid bridge must be known shortly before separation
occurs. It can be solved numerically using the following boundary conditions:
q
2
y.xc;i / D rPi .rPi HPi /2 (3.202)
q 2
2
y.xc;j / D rPj rPj HPj (3.203)
y.xmin / D 0 (3.204)
dy.xmin /
D0 (3.205)
dx
258 3 Numerical Methods
Here a second order polynomial function has been used for the meridian profile of
the interphase between the liquid of the bridge and the ambient fluid. If the volume
ratio Vfi0 =Vfi is greater than unity, liquid transport takes place in the direction of the
particle i during the separation process, while transport takes place in the direction
of the particle j if the volume ratio is less than unity. If both particles have identical
wetting angles, the liquid will be evenly distributed to both collision partners. If one
particle has a smaller wetting angle than its collision partner, the volume ratio of
that particle is greater than that of its collision partner.
Based on the above methods, several numerical calculations (using DEM) for
determining the adhesive force created by liquid bridges can be found in the relevant
literature. The adhesive force which occurs mainly at high temperatures and is
created by solid bridges, however, has been given much less attention model-
wise in combination with DEM—and to this end, much more research could be
carried out in future. The DEM simulation of fluidized beds (addressing solid
bridges as the only material connection option) requires much more computing time
than the calculation of the fluidized bed (addressing liquid bridges). In pressure
agglomeration or powder coating, for example, solid bridges can lead to the desired
degree of adhesion through the formation of strong and permanent bonds—but they
have negative consequences as well, caused by the clumping of particles or ash
deposition on boiler walls, especially in combustion systems.
If solid particles come into contact with one another at sufficiently high temperatures
and for a sufficiently long period, a sinter bridge may be created in the contact zone.
It is believed that to form a stable sinter bridge, at least 60 % of the absolute melting
temperature of the bonding partners must be achieved. The more this temperature
limit is undercut, however, the slower sinter neck growth will be—until the adhesive
forces thus formed can ultimately be disregarded. The creation of a sinter neck and
a resulting adhesive force is caused by acting interfacial energies and an external
pressure—here the interfacial tension is crucial in the case of low-pressure loads
and small particles. Pressure sintering, however, only plays a decisive role at higher
pressures (p > 1 bar) and with larger particles (rP > 10 m) (Schubert 1979).
Although theories have already been developed for modeling metallic sinter
bridges in fluidized beds, no attempt has yet been made to describe the entire mecha-
nism of agglomeration, including the fluidization behavior of agglomerated particle
clusters. And in DEM simulations, taking the adhesive forces into consideration
involves a great deal of time and intensive computational costs due to the solid
bridges. Nevertheless, in today’s literature we can find some important works on
adhesive forces created by solid bridges in fluidized beds, such as the contributions
of Mikami et al. (1996), Kuwagi et al. (1999), Knight et al. (1999), and Seville et al.
(2000). Since non-reactive fluid–solid flows are covered in this chapter, we will not
further address the adhesive forces created by solid bridges.
3.6 Discrete Element Method 259
Moments of Force
The total moment of force exerted on a particle i is the sum of the fluid–particle
interaction moments and the moments of force acting between the particles due to
short-range forces (see Eq. (3.156)).
• Short-range moments of force
Short-range moments of force result from forces which act on the contact point—
and as surface forces these therefore lead to particle rotation. The moment of
force-generating contact forces consist of the tangential contact forces and the
contact forces which act asymmetrically in the normal direction. The latter are also
known as rolling friction moments. The resulting tangential contact moment can
be determined by adding together the k moments of force. We obtain each of the
moments of force through the forming of the cross product of the tangential contact
force with the normal unit vector, multiplied by the particle radius rPi :
X
kDN
E tP;Cont;i D
M rPi FEtP;Cont;ik nEik (3.206)
kD1
k¤i
where rf and 0rf are the material-dependent rolling friction coefficients, L̋EPi D
ˇ ˇ
ˇ ˇ
˝E Pi = ˇ˝E Pi ˇ is the unit vector of the rotational velocity of the particle i, kPr is the
torsional spring stiffness,
rP;Da is the rotational damper coefficient, and 'ik;rel is the
relative rotation angle between the collision partners. While the model by Beer and
Johnson (1976) is independent of the rotational velocity, the approaches of Iwashita
and Oda (1998), Iwashita and Oda (2000), and Brilliantov and Poschel (1998) are
functions of the relative rotational velocity. Using a minimum function, Zhou et al.
(1999) combined the approaches of Beer and Johnson (1976) and Brilliantov and
Poschel (1998) into a dynamic model. Just which approach is suitable for a specific
problem must be tested and verified by means of numerical and experimental
investigations.
• Fluid–particle interaction moments of force
The particle moment of force caused by the interaction of the flow field with the
particle can be determined (as per Dennis et al. (1980)) by means of the following
equation:
5 ˇ ˇ
E f !P D rf %f dP ˇˇ˝E P;rel ˇˇ ˝E P;rel
M (3.208)
64
where ˝ E P;rel describes the relative rotational velocity between the particle P and the
fluid. The rolling drag coefficient rf depends on the Reynolds number of rotation
Rerot and is represented by the following threshold functions:
8
16
ˆ
ˆ ; falls 0 Rerot < 101
ˆ
ˆ
Rerot
ˆ
ˆ
ˆ
ˆ
ˆ
ˆ
ˆ p6:45 32:1
falls 101 Rerot < 103
ˆ Rerot C
ˆ
ˆ Rerot ;
ˆ
ˆ
ˆ
ˆ
<
rf D p6:8 ; falls 103 Rerot < 4 104 (3.209)
ˆ
ˆ
Rerot
ˆ
ˆ
ˆ
ˆ
ˆ
ˆ
ˆ
ˆ
0:058
p ; falls 4 104 Rerot < 4 105
ˆ
ˆ
20
Rerot
ˆ
ˆ
ˆ
ˆ
ˆ
:̂ p0:397 ; falls 4 105 Rerot < 107
5
Re rot
with
ˇ ˇ
ˇ ˇ
0:25%f dP2 ˇ˝E P;rel ˇ
Rerot D (3.210)
f
where f represents the dynamic fluid viscosity. In Fig. 3.44, the dependence of the
rolling drag coefficient on the Reynolds number of rotation is shown graphically.
3.6 Discrete Element Method 261
10 2
[-]]
ficient ζ rf [-
10 1
coefficient
Rolling drag coef
10 0
10 -1
10 -2
10 0 10 2 10 4 10 6 10 8
Reynolds number of rotation Re rot
rot
[-]
[-]
Fig. 3.44 Rolling drag coefficient rf against the Reynolds number of rotation Rerot
Contrary to general expectations, it is clear that the moment of force (which is the
result of fluid–particle interactions) should be taken into consideration, especially at
low rotational velocities.
In the previous sections, we discussed the different models for calculating the
volume forces, the surface forces acting between fluid–particle and particle–particle,
and the resulting moments of force. At this point, it should be noted that the
models dealt with here are limited to circular (2D) or spherical (3D) particles.
This is because it is not only the modeling of the mechanical behavior of non-
spherical particles which is difficult—the calculation time needed today would also
be significant. In the current literature that covers research on this topic, there
are two important approximation methods for taking non-uniform particles into
consideration. In the first approach, circles and spheres are combined into particle
clusters that possess complex particle geometries—and in the second method,
the particles have predefined geometries described by polynomial functions. The
advantage of the first method lies in the fact that we can fall back on the
models discussed in this chapter through the approximation of the complex particle
geometry aided by the use of circles or spheres. In contrast, the second method—
in addition to the mathematical functions describing the particle geometries—also
requires the extension of the models required for calculating the volume forces,
surface forces, and moments of force. Since the computational complexity increases
immensely as the order of the polynomial function increases, usage of the second
method is usually limited to simple geometries such as cylinders or ellipsoids.
To determine the short-range forces and moments of force, we must first detect the
collision using a problem-specific criterion. One criterion to be satisfied for a contact
262 3 Numerical Methods
may state that the distance between the two particle centers must be less than the
sum of the two radii. Another criterion that can be used for, e.g., the formation of
liquid bridges would be that of falling below the critical bridge length. In fluid–solid
simulations, deterministic particle–particle and particle–wall collision detection
represents the most part of the entire computation, whereby a substantial difference
exists between 1D and 2D/3D simulations. In a 1D case, only the particles to the left
and right of the particle in question can be candidates for collision and the neighbor-
hood relationships remain unchanged during the course of the calculation—but in a
2D/3D case, the number of possible collision partners is significantly higher—and
the changing neighborhood relationships also increase the degree of computational
complexity. Numerous algorithms for deterministic collision detection in granular
flows can be found in the relevant literature—these algorithms are classified as the
Standard-, Neighborhood-, and Bounding Boxes methods. The general procedure
for deterministic collision detection consists of each particle being checked for
collision with all the particles in the computational domain. Compared to this
standard method, the neighborhood method offers a starting point to increase the
efficiency of the overall process, because it generates a collision list for each
particle—and only potential collision partners are stored in the list. In cases where
widespread particle size distributions and complex particle geometries prevail, the
bounding boxes method offers a more appropriate and significantly more efficient
alternative to the neighborhood method. Deterministic collision detection using
standard, neighborhood, and bounding boxes methods—and their characteristic
properties in terms of efficiency and implementation complexity—will be covered
in the following sections.
The standard method represents the simplest procedure for detecting a collision
between two particles or particles and walls—here the collision detection of
spherical particles occurs in relatively trivial manner. To this end, every possible
particle pairing is tested for a collision by applying the standard algorithm to
pre-defined collision criteria on all pairs. This means that in each particle time
step, particles which cannot possibly collide are also tested. Since the collision
probabilities between particles are given indirectly by the corresponding particle
spacings, the computational effort of the standard method approximately depends
quadratically on the number of particles (O.N/2 ) and can be calculated as follows:
where col represents the computation time required for a single collision detection.
Although the level of implementation effort involved in the standard method is
relatively low, an enormous amount of time is required to detect all collisions, even
at low solid loading.
3.6 Discrete Element Method 263
(a) (b) 1 2 3 4
ri,col,max
5 6 7 8
9 10 11 12
Δysg 13 14 15 16
Fig. 3.45 Neighborhood methods: (a) Verlet algorithm and (b) Search grid method
Neighborhood Method
where
The list A D f0; 1; : : : ; Ng contains all the particles and walls of the com-
putational domain. Now we must determine the distances between particle i and
all other particles and walls, then compare these distances with ri;col;max . The
particles—and the walls within the collision zone of the particle i—are stored in
particle i’s neighbor list. After the generation of the neighbor lists, precise collision
detection is carried out by checking the particle in question for collisions with its
potential collision partners stored in the neighbor list. Using the Verlet algorithm,
the computational effort involved in creating the neighbor list is similar to that of
264 3 Numerical Methods
(a) (b)
1 2 3 4 1 2
5 6 7 8 rP,max
rPj rPi
9 10 11 12 3
13 14 15 16
Fig. 3.46 Search grid width smaller than 2 rP for (a) a monodisperse system and greater than
2 rP;max for (b) a polydisperse system
and 7. The dependence of the search grid method on the search grid width—i.e.,
the particle radius—is the weak point in this method. The reason behind this is that
in polydisperse systems, the largest particle radius forms the basis for determining
the search grid resolution (2 rP;max )—so the average number of particles N sgc per
search grid cell consequently increases due to a coarser resolution (see Fig. 3.46b).
With regard to collision detection, Eq. (3.214) illustrates an increase in computing
time compl . Nevertheless, the search grid method is implemented into current DEM
programs, since current simulations are often carried out using monodisperse or
polydisperse systems with tight particle size distribution.
As per Cohen et al. (1995) and Baraff (1995), the bounding boxes method is
an alternative to the neighborhood method. Although the implementation of the
bounding boxes algorithm is relatively complex, it nevertheless is characterized
by two distinct advantages. On the one hand, the particle size distribution does
not affect the efficiency of the process and on the other, we can incorporate non-
spherical particles into the bounding boxes algorithm. In applying the bounding
boxes method, we start by surrounding each particle with cuboidal blocks, the
edges of which are aligned parallel to the respective axes of the coordinate
system. The vertices of all the blocks are subsequently projected onto the three
rectangular coordinate axes and the corresponding vertex coordinates are stored
in the appropriate particle lists. Each particle list contains the physical and the
geometrical characteristics of one individual particle. A collision between two
particles will take place as soon as the vertices of their blocks overlap in the x-
, y-, and z-directions. In the event of a collision, an additional collision detection
procedure must be used to verify which surfaces of the two collision partners have
come into contact.
266 3 Numerical Methods
y
y4,4
y3,4 4 3
4
y4,1
3
y2,4
y3,1
1 2
2
y1,4
y2,1 1
y1,1
x1,1 x3,1 x1,2 x3,2 x2,1 x4,1 x2,2 x4,2 x
Fig. 3.47 Visualization of the bounding boxes method addressing the sorting process
3.6 Discrete Element Method 267
Fig. 3.48 Reversal of the order of the sorted vertex coordinates in the x-list for two successive
particle time steps
(O.N/2 ) per list (see Fig. 3.48). Even assuming minimal particle velocities and
small particle time step sizes, the sorted lists of two successive time steps can
be completely different, resulting in fluctuating computational costs from particle
time step to particle time step. Due to the high computational cost and the intensive
programming effort involved, the bounding boxes algorithm—in comparison to the
neighborhood method—is very rarely found in current DEM codes.
The simulation of fluid–solid flows combines the classic numerical fluid mechanics
(CFD) for calculating the fluid phase in Eulerian coordinates and the single-particle
method for describing the solid phase in Lagrange coordinates. However, the model-
ing of the fluid phase in fluid–solid flows requires the expansion of the conservation
equations for single flow, since the control volumes of the computational domain
consist of different fluid and solid volume fractions. In this context, exchange terms
must therefore be determined for the characterization of granular systems for each
fluid control volume. To do this, the volumes occupied by the particles which
are present in each fluid cell and the particles’ velocities are first determined and
combined in the form of porosity and momentum transfer ($f and fEP!f ) in order to
solve the conservation equations of the fluid phase. The motion of the fluid phase
is calculated using the continuity equation and the Navier–Stokes equations for
disperse multiphase flows—and to this end, Gidaspow (1994) proposed two options
for the Navier–Stokes equations (see Eq. (3.216)). In model A, it is assumed that the
268 3 Numerical Methods
pressure gradient only takes into account the volume occupied by the fluid, whereas
in model B the gradient refers to the entire control volume:
@ $f %f
C r $f %f wEf D 0 (3.215)
@
8
ˆ
ˆ
ˆ r $f Tf $f rp fEAP!f C $f %f gE
ˆ„ ƒ‚ …
@ $f %f wEf <
C r $f %f wEf wEf D Model A B
@ ˆ
ˆr $f Tf rp fEP!f C $f %f gE
ˆ
:̂„ ƒ‚ …
Model B
(3.216)
with the stress tensor as follows for Newtonian fluids as per Bird et al. (1960):
2 T
Tf D f f r wEf I C f r wEf C r wEf (3.217)
3
Here f represents the bulk viscosity (also known as second viscosity) and I
represents the unit matrix. Bulk viscosity takes into account additional degrees
of freedom of molecules and can be disregarded in the case of both monoatomic
and incompressible fluids. In general, it is also disregarded in the case of subsonic
flows with polyatomic or compressible fluids—but it should be addressed for the
distribution of shock and sound waves.
A problem occurs in the calculation of the velocity field of the fluid phase: the
gradients of the unknown pressure field are included in the momentum equations,
but no explicit equation for the determination of the pressure exists, since the
continuity equation does not include the pressure. In compressible flows, the density
is also included as a variable parameter and this necessitates the use of another
equation (equation of state). Two different approaches are commonly used to
calculate consistent pressure and velocity fields. In one of these methods, the local
density is first determined from the continuity equation with a given velocity field.
The determination of the pressure is then carried out by means of the thermal state
equation for ideal gases:
%f <Tf
pD (3.218)
Mf
Pressure and density are then used in the momentum equations and the velocity
field is calculated. The density-related method, however, requires that a clear rela-
tionship actually exists between pressure and density. If this method is nevertheless
used for incompressible flows, a synthetic relationship between pressure and density
must be created in the form of an artificial compressibility (a weak coupling between
pressure and density).
3.6 Discrete Element Method 269
FEAP!f
FEBP!f D 1 $f %f gV
E CV (3.219)
$f
According to Kafui et al. (2002), Kafui et al. (2004), and Feng and Yu
(2004a), only slight differences between the models A and B can be observed for
monodisperse systems. In the case of polydisperse systems, however, Feng and Yu
(2004b) showed significant deviations between the two models. When we compare
the simulation results of models A and B with experimental results obtained under
comparable conditions, model B can be recommended for the time being. However,
further numerical and experimental studies are needed to accurately answer the
question regarding which model is definitely to be preferred, taking solid loading
and particle size distribution into account. Regardless of the model chosen—A or
B—the continuity and momentum equations must first be discretized before we can
determine the fluid phase (see Sect. 3.3). The generated linear equations are solved
using an iterative method, after which the velocities and the pressure of every fluid
cell in the flow field are stored (see Sects. 3.5 and 3.7). The fluid–particle interaction
forces and moments of force can be determined through the transfer of the fluid
variables to the particle phase (fluid ! particle).
When we use the single-particle method and take the fluid–particle interaction
forces and moments of force as well as the rest of the surface and volume forces
(particle $ particle) into consideration, we obtain the translational and rotational
velocities of the particles and their new positions. The porosity and the average
particle velocities are subsequently updated and passed back to the fluid phase
(particle ! fluid) (see Figs. 3.31, 3.49, and 3.61). The procedure explained here
is also described in the relevant literature as Four-way coupling (particle $ fluid
(two-way coupling) and particle $ particle (two-way coupling)).
The turbulence modeling of the fluid phase was neglected in the early DEM
programs because, on the one hand, moderate Reynolds numbers (Ref < Ref ;crit )
were used and, on the other, the turbulence in dense fluid–solid flows ($P D 1 $f
> 0.001) is of minimal importance as per Elghobashi (1994), Elghobashi (2006). In
the necessary consideration of the turbulence, direct numerical simulation (DNS),
large eddy simulation (LES), and other conventional computational fluid dynamics
(CFD) techniques are suitable for calculating turbulent time and length scales.
In principle, all of these methods can be combined with DEM to represent the
270 3 Numerical Methods
DEM wP , rP
ff P f P f, ε f
wf , p CFD
Fluid cell
Fig. 3.50 Increasing the resolution of local inhomogeneities by means of grid refinement
fluid–solid flow in detail. In fact, many of these methods have already been used,
such as DNS DEM (Hu 1996) and LES DEM (Zhou et al. 2004a,b). Turbulence
modeling is not covered in this chapter, since it has already been described in
Sect. 2.2—and there are numerous sources available for further study (Pope 2000;
Norberts 2000; Cebeci 2003; Oberlack et al. 2007).
The following chapter deals with the calculation of porosity and momentum
transfer, which are functions of the averaged geometrical and physical particle
variables. However, when determining the average values, care should be taken that
the particles can also intersect the boundary surfaces of the fluid cell—enabling a
particle to influence several control volumes at the same time. An exact calculation
of the porosity in the control volume (i.e., including the volume of all spherical
section volumes in the fluid cell in question (Fig. 3.50a) is hardly applicable for
reasons of efficiency. This is due to the fact that the exact mathematical description
is complex—and the programming is also very time-consuming. The computational
effort can be reduced by the particle center of mass method, where the entire volume
of the particle is assigned to the fluid cell in which the particle center of mass is
also located. The accuracy of the average value also depends heavily on the fluid
grid resolution. Increasing the grid resolution also increases the number of particles
which are part of several control volumes—but each of these is assigned to only one
individual fluid cell during calculation. The reduction of the control volumes does
therefore lead to inaccuracies in the averaging process, but, on the other hand, it also
3.6 Discrete Element Method 271
improves the spatial resolution of local inhomogeneities (see Fig. 3.50b,c, and d). If
the size of a control volume corresponds to that of the particle, no statement about
the local average is possible.
The relevant literature contains various approaches to determining the local
average values; however, the method used should meet the following criteria:
- The averaging procedure should evince a high level of accuracy.
- Local inhomogeneity problems must be resolved.
- The algorithm for averaging should evince a high degree of efficiency.
- The process should be independent of the fluid grid resolution.
Calculating Porosity
The most accurate porosity calculation in a Euler or fluid cell can be performed by
1 X CV
$fCV D 1 $PCV D 1 Pi VPi : (3.220)
V CV
8i2CV
Here PiCV
denotes the proportion of the particle volume VPi located in the control
volume in question and the variable $PCV describes the volume proportion of the
particle phase in the fluid cell. If the porosity calculation is approximated using
the particle center of mass procedure, the complex procedure for determining the
variable Pi
CV
is omitted in Eq. (3.220). The increase in efficiency thus achieved is,
however, associated with a greater degree of uncertainty as regards the determi-
nation of porosity. The determination of porosity can be significantly improved
by using the so-called offset method, which causes a certain number of spatial
displacements of the fluid grid (see Fig. 3.51). Here the porosity in each fluid cell
is calculated and stored in the memory after each displacement of the fluid grid.
We then obtain the porosity in a fluid cell by averaging the calculated porosities for
the corresponding number of displacements—here a large number of displacements
result in a more accurate approximation result.
To check the accuracy of both approaches (particle center of mass method in
combination with and without the offset method), Götz (2006) states that k test
Δy Δy
Δx Δx
volumes with a known porosity $ f are created. The particles are evenly distributed
over the entire computational domain and can be randomly distributed within the
individual test volumes. Each test volume must consist of n fluid cells. To examine
the accuracy of the first two approximations, the approaches are applied to the fluid
cells and the porosity determined for each fluid cell. Subsequent determination of
the average porosity for the n fluid cells enables the porosity of the corresponding
test volume $fi to be approximated. In order to estimate the degree of accuracy, the
standard deviation for the entire computational domain can now be determined:
v
u k
u1 X 2
$f D t $fi $ f (3.221)
k iD1
In addition to the analysis of both methods, the ratio of the edge length of the
cube-shaped fluid cells l to the particle diameter dP is varied and the standard
deviation calculated (see Fig. 3.52). For the offset method, the average of 27 adjacent
fluid cells was formed with the displacements (x; y; z 2 fdP =2; 0; CdP =2g).
We can see from Fig. 3.52 that the average aberration of the particle center
of mass procedure (both with and without the offset method) increases with the
decreasing ratio of the edge length to particle diameter. The use of the offset method
can improve the degree of accuracy by up to one order of magnitude—so we can
make the size of the fluid cell smaller and still retain the same level of accuracy.
In this way, local inhomogeneities in the distribution of solids can be resolved with
a high degree of accuracy. Using the offset method results in the particle loading
having almost no influence on the accuracy of the calculation, whereas without the
offset method the accuracy of the approximation deteriorates with any increase in
solid loading. Combining the particle center of mass and offset methods can only
be applied with satisfactory accuracy if the volume of each fluid cell is significantly
0.15
0.05
0.0
1 2 3 4 5
l/dP [-]
3.6 Discrete Element Method 273
greater than the largest existing particle volume in the computational domain. In
general, it can be stated that the accuracy of the solution greatly decreases with
increasing fluid grid resolution (with a constant particle diameter) and if the offset
method is not used. This is due to the fact that the porosities of the individual cells
increasingly approach the limits zero or one when smaller fluid cells are used—and
this can lead to extreme fluctuations from fluid cell to fluid cell and from time step
to time step. In the worst case scenario, the volume of a particle exceeds that of a
fluid cell in such a way that the fluid cell may be completely filled by the particle,
resulting in zero porosity. This would in turn result in numerical instabilities in the
calculation of the fluid variables in the fluid cell in question (see Eq. (3.216)). This
is why we must ensure that the porosity in each fluid cell is greater than zero—
and this results in a minimum volume for the fluid cells, depending on the largest
particle diameter. However, to resolve certain physical phenomena numerically—
such as small-scale eddies in highly turbulent flows—a very fine fluid grid resolution
must be selected. In order to overcome these conflicting requirements on the fluid
grid, Link et al. (2005) and Götz (2006) developed two different approaches for the
calculation of porosity. The approach of Link et al. (2005) is based on monodisperse
systems and represents the particle as a porous cube—a geometry that was selected
because of its relative ease of use. The edge length of the cube is dependent on the
particle diameter and a constant scaling factor a. It is determined according to the
following equation:
dCube D a dP (3.222)
The cube volume should be greater than or equal to the particle volume, so that
the following edge length is obtained for the cube:
13
a 0:8 (3.223)
6
where values of between 3 to 5 for a are recommended for reasons of accuracy. The
porosity of the cube is obtained from the ratio of the particle volume to the volume
of the cube and is only a function of a:
VP
$Cube D D 3 (3.224)
VCube 6a
We can now calculate the porosity of the fluid cell from Eq. (3.220)), using
Eq. (3.224) thus:
X
$fCV D 1 $Cube Cube;i
CV
(3.225)
8i2CV
Here Cube;i
CV
denotes the ratio of the sectional volume of the cube i and the fluid
cell to the volume of the fluid cell (Fig. 3.53a). However, this alternative method has
274 3 Numerical Methods
(a) (b)
Cube 1
2x 1x
P1
Cube 2 4x 2x
P2
P3 CV
Cube Weighting factor: 1
Cube 3 Fluid cell Weighting factor: 2
CV CV CV CV
f Cube 1 2 3 Boundary cell Weighting factor: 4
to be adapted as soon as a particle is located at the edge of the flow field, i.e., when
the cube representing the particle overlaps the boundary zone. This can be achieved
by folding the cube at the boundary zone, as shown in Fig. 3.53b.
The determination of porosity by means of transforming the particle into cubes is
characterized by an acceptable level of computational complexity and a satisfactory
degree of accuracy. However, we must ensure that the condition:
X
$Cube Cube;i
CV
<1 (3.226)
8i2CV
for Eq. (3.224) is satisfied in order to avoid negative porosity values. In the case
of polydisperse multiphase flows with a broad particle size distribution, negative
porosity values can be obtained if one very small particle (cube) is present in a
fluid cell. Here the volume ratio Cube;i
CV
can take on such a large value that the
unequation (3.226) for a given cube edge length a is no longer satisfied. Although
this unrealistic porosity can be corrected by adjusting or enlarging the cube edge
length, this leads to a clear loss of efficiency due to a significant increase in cube
overlaps.
In the approach advocated by Götz (2006), the calculation of porosity is not
carried out in the fluid cells, but in additionally generated, coarse grid cells
known as average particle grids. This ensures that the averaging of local particle
characteristics is independent of the fluid quantities calculation—and this in turn
means that the resolution of the fluid grid can be varied when detached from the
particle size. After carrying out an interpolation, the interphase values such as
porosity and momentum transfer are assigned to their associated fluid cells (see
Fig. 3.31). To approximate the porosity, the average particle grid can either be
combined with the particle center of mass procedure or the offset method. The
particle diameter is used to determine the grid width of the average particle grid and
a minimum length of around l 2:1dP is proposed (see Fig. 3.52). In polydisperse
systems, the average particle grid method evinces neither a loss of efficiency nor a
3.6 Discrete Element Method 275
(a) (b)
Particle cell
Fluid cell
loss of accuracy—the minimum grid width of the particle grid is now based on the
largest particle diameter which is present in the computational domain.
For complex geometry problems, the approaches of Link et al. (2005) and Götz
(2006) that use structure grids may lead to inaccuracies at the boundaries, since the
available volume of the control volumes is difficult to calculate (see Fig. 3.53a).
Independent, orthogonal grids can therefore only be used in complex geometries
with a high degree of computational and implementation complexity. In accordance
with Götz, it is for this reason that fluid cells are combined into suitable border-
adjusted particle cells with an appropriate volume (V 9dP3 ) for determining local
porosity (see Figs. 3.52 and 3.54b). Since both the fluid cell (in which a particle is
located) and the volume of all fluid cells (and consequently the characteristics of the
particle cells) are known, porosity can be efficiently determined with a satisfactory
degree of accuracy.
Momentum Transfer
In the calculation of the flow pattern and the particle trajectories in fluid–solid flows,
the interaction forces occurring between the two phases (fluid $ particles) play a
decisive role. As per Newton’s third axiom, the force exerted by the fluid phase on
the solid phase must be equal to the force of the fluid phase acting on the particle
phase, but with opposite signs. The change in momentum in the fluid caused by the
particle phase is determined by using the velocity changes of the individual particles
along their trajectories. According to the Particle Source In Cell Method (PSIC)
developed by Crowe et al. (1977), the particle–fluid interaction for a given control
volume is obtained by the sum of the changes in momentum of all the particles
which have moved through the control volume in the fluid time step size f and
which are present in the pertinent control volume N CV :
1 X
NP N
X
CV
E .j/ .j1/
FP!f D mPi wEPi wEPi
f jD1 iD1
(3.227)
E E E
FP;Vol;i C F P;Cont;i C FP;Adh;i j :
276 3 Numerical Methods
Here the indices .j/ and .j 1/ denote the sizes of the current or the previous
particle time step. NP represents the number of particle time steps required for the
calculation of a fluid time step f . The particle-to-fluid interaction must be reduced
by the volume, contact, and adhesive forces, since these forces—although they have
to be addressed in the calculation of the particles’ change in momentum—do not
result from the momentum exchange with the fluid phase. According to Crowe
et al. (1977), the momentum transfer term fEP!f D FEP!f =V CV is included in the
fluid-balance equation (3.216) as a fully explicit, i.e., already-calculated or already-
known quantity. This leads to convergence problems in the case of dense fluid–solid
flows, since the Navier–Stokes equations become stiff at high loadings or with high
differential velocities as per (3.227). A semi-implicit method is usually used, since
the fully implicit determination of momentum transfer leads to conflicts regarding
the appropriate model selection for calculating the resistance coefficient (interphase
momentum transfer coefficient) ˇ (as explained below). Feng and Yu (2004a) state
that the coupling of the fluid and disperse phases—which are modeled on different
length and time scales—can be carried out in three different ways. In scheme 1, the
observance of this third Newtonian axiom cannot be guaranteed, as the force exerted
by the particles on the fluid is determined similar to the two-fluid method by means
of local arithmetic averaging:
2 0 13
1
N CV
X
FEP!f D ˇ wEf wEP V CV D ˇ 4wEf @ CV wEPi A5 V CV : (3.228)
N iD1
The force exerted by the fluid on the particle phase is calculated separately for
each particle, dependent on the respective particle velocity:
The variable ˇ denotes the resistance coefficient and wEP the average particle
velocity in a fluid cell. Although this scheme was mainly used in the early
development phase of coupling modeling, it can still occasionally be found in
the relevant literature (Tsuji et al. 1993; Hoomans et al. 1996; Limtrakul et al.
2003; Götz 2006). According to scheme 2, the force for particle-fluid coupling is
determined by local averaging as shown in scheme 1 and as per Eq. (3.228). In
the case of monodisperse systems, the force thus obtained FEP!f is then equally
distributed on the particles that are present in the control volume V CV :
FEP!f
FEf !P;i D CV : (3.230)
N
Here N CV denotes the number of particles in the fluid cell and FEf !P;i is the fluid
force acting on the particle i. Although scheme 2 satisfies the third Newtonian axiom
and is therefore used by many authors (Mikami et al. 1998; Kaneko et al. 1999;
Han et al. 2003) the description of the momentum exchange is inaccurate from a
3.6 Discrete Element Method 277
f 1 $f
ˇErgun D 2
150 1 $f C 1:75ReP ; if $f < 0:8 (3.232)
dP $f
and 2) the correlation as per Wen and Yu (1966) which was proposed for “dilute”
systems:
3 f
ˇWen D 2
sphere 1 $f $f2:65 ReP ; if $f > 0:8 (3.233)
4 dP
Here sphere represents the drag coefficient for an isolated spherical particle and
can be determined (see Schiller and Naumann (1933)) as follows:
(
24
1 C 0:15Re0:687 ; if ReP < 103
sphere D ReP P
(3.234)
0:44; if ReP 103
278 3 Numerical Methods
[kg/m s]
different models for the
3
determination of the 105
resistance coefficient as per
Goldschmidt et al. (2004) 104
Resistance coefficient
103
Here wEP represents the average particle velocity and dP denotes the particle
diameter (monodisperse) or the equivalent particle diameter (polydisperse) in the
control volume in question. The combined model as per Ergun (1952) and Wen
and Yu (1966) evinces a discontinuity in $f D 0:8 (see Fig. 3.55). Compared to the
models of Ergun (1952), Wen and Yu (1966), and Garside and Al-Dibouni (1977),
the approach of Foscolo et al. (1982) predicts the smallest resistance coefficient for
$f > 0:4:
17:3 1 $f f
ˇFoscolo D C 0:336 ReP (3.236)
ReP $f2:8 dP2
whereas the approach of Garside and Al-Dibouni (1977) calculates the largest
resistance coefficient for almost all porosity values, except for the porosity zone
0:8 > $f > 0:75:
s !2
3 $f Rt f
ˇGarside D 0:63 C 4:8 1 $f ReP (3.237)
4Re2t Ref dP2
3.6 Discrete Element Method 279
with
2 s 3
2
ReP ReP ReP
Rt D 0:5 4A 0:06 C 0:06 C 0:12 .2B A/ C A2 5
$f $f $f
(3.238)
and
A D$f4:14
(
0:8$f1:28 ; if $f 0:85 (3.239)
BD
$f2:65 ; if $f > 0:85
The influence of the Foscolo et al. (1982), Garside and Al-Dibouni (1977),
Ergun (1952), and Wen and Yu (1966) models to the characteristics of a fluid–
solid fluidized bed was compared by Goldschmidt et al. (2004). The authors used
the example of the particle diameter dP D 2:5 mm and the dynamic viscosity
f D 18 106 Pa s with a particle Reynolds number of ReP D 318 for
their calculations—and graphically represented the resistance coefficient as being
dependent on the porosity (see Fig. 3.55). As the work group noted, certain variables
such as minimum fluidization velocity and average bed height are heavily dependent
on the resistance model used. And this is why none of the models can be used
universally (Goldschmidt et al. 2004).
Using simulation results that he obtained by means of the Lattice-Boltzmann
method, Hill et al. (2001) derived the following relationship for the resistance
coefficient:
" 2 #
f 1 $f
ˇHill D 2 A C B 1 $f ReP ; if ReP > 40 (3.240)
dP $f
Hill et al. (2001) and on a broader data set, Beetstra et al. (2007) developed a similar
approach for the resistance coefficient—but his method was more accurate:
" 2 #
f 1 $f
ˇBeetstra D 2 A C B 1 $f ReP ; if ReP < 1000 (3.242)
dP $f
with
q
18$f4
A D180 C 1 C 1:5 1 $f
1 $f
h i (3.243)
0:31 $f1 C 3$f 1 $f C 8:4Re0:343
P
BD
.2$f 2:5/
1 C 103.1$f / ReP
This model is also more useful for practical applications, since it provides
satisfactory results for particle Reynolds numbers up to 1000.
Different time step sizes are used in the simulation to calculate the time-dependent
movement of the solid and the fluid phases. While the fluid time step f is constant
and is used to solve the fluid balance equations and the fluid–particle interactions,
we can assume that the particle time step size P is variable or constant, depending
on the selected particle–particle/wall interaction model. If the single-particle method
is combined with deterministic collision detection in the case of the hard sphere
model, calculation of the particle phase occurs with adaptive particle time step
size—but in the case of the soft sphere model calculation takes place with constant
particle time step size. Determination of the particle time step size in the hard sphere
model differs from that of the soft sphere model in that the hard sphere model is an
event-based method (Hoomans et al. 1996). Here it is assumed that no collision
occurs between two successive particle time steps and that a particle may collide
with another particle or with the wall only at the time C P . Starting from the
last particle time step, the time a particle i requires to come into contact with a
possible collision partner j is calculated from:
rij wEPij
E
Pi .j/ D
wE2Pij
r h
2 2 i (3.244)
rEij wEPij wE2Pij E
r 2ij rPi C rPj
; 8j 2 A
wE2Pij
3.6 Discrete Element Method 281
Here A D f0; 1; : : : ; Ng represents a list in which all the particles and the walls
of the computational domain are stored. If the scalar product is rEij wEPij < 0, the
particles move towards one another, whereas in the case of rEij wEPij > 0 the particles
move away from one another—and a collision can be excluded (see Fig. 3.27). The
minimum of all Pi .j/ of particle i with the possible collision partners j (8j 2 A)
is the so-called collision time P;col .i/ of the particle i:
For the entire computational domain, the minimum collision time is P;col .i; j/
and is obtained from:
We then add P;col .i; j/ to the last minimum collision time (within the current
fluid time step size):
0
P;acc D P;acc C P;col .i; j/ (3.247)
To reduce the level of computational complexity, only the particle i and its
collision partner j are moved to their collision positions at the point in time
C P;acc —here the distance traveled in each case is the result of the product
of the old velocity and the current minimum collision time P;col .i; j/. Now
that the collision has been determined, the calculation of the momentum transfer
between the two collision partners is carried out as per Eq. (3.152). We subsequently
update the translational and rotational velocities of the colliding particles as per
Eqs. (3.141) and (3.142). In the next step, a new minimum collision time is
detected—and the described sequence is repeated (see Fig. 3.62). This cycle runs
until the accumulation time P;acc is greater than or equal to the fluid time step size
f . When this occurs, all the particles of the computational domain are moved to
their new positions and the distance traveled by particle k is determined as follows:
xEk D wEk f .P;acc P;col .i; j// ; 8k 2 A (3.248)
Here the values for P;acc and P;col .i; j/ which are stored in the memory after
the cycle has terminated must be inserted into Eq. (3.248).
In the soft sphere model, the fluid time step size is subdivided into several
constant particle time step sizes P . Using the particle time step size and in
most cases the explicit Euler method, the translational and rotational velocities of
the particles are determined by solving the momentum conservation and angular
282 3 Numerical Methods
Z P
C
X
1
wEP . C P / D wEP ./ C FEPk ./d
mP k
(3.249)
.j/ .j1/ P E
) wEP D wEP C FP;compl
mP
Z P
C
X
1
˝E P . C P / D ˝E P ./ C E Pk ./d
M
JP k
(3.250)
.j/ .j1/ P E
) ˝E P D ˝E P C M P;compl
JP
The indices .j/ and .j 1/ characterize the appropriate size for the current and
previous particle time steps. The particle’s current position and rotation angle can
be calculated from the time integration of the latter two equations:
Z P
C
.j/ .j1/ .j/
xEP . C P / D xEP ./ C wEP ./d ) xEP D xEP C P wEP (3.251)
Z P
C
'EP . C P / D 'EP ./ C E P ./d ) 'E.j/ D 'E.j1/ C P ˝E .j/ (3.252)
˝ P P P
With regard to computational effort, the Euler polygonal traverse draft method
(explicit Euler method) is of the first order (O.N/)—and it is only slightly time-
consuming in terms of implementation. Despite these advantages, unstable behavior
and inaccuracies in the conservation of energy occur in the case of large particle time
step sizes, with the result that a higher-order method, such as a multi-step procedure
or the Runge–Kutta method is recommended (Van der Hoef et al. 2006). However,
higher order methods may be disregarded, since all the methods provide good results
with a sufficiently small particle time step size—and we must select a small particle
time step for resolving the force curve during a collision in any case. In determining
the particle time step size, the following points must be considered:
1. The particle time step size must be chosen in such a way that the particle
trajectory is approximated with acceptable accuracy during the free flight phase.
This criterion must be considered—especially in the case of turbulent fluid–solid
flows—because the interaction forces of the fluid acting on the particle can be
subject to strong temporal and spatial fluctuations. Turbulence is often neglected
in the simulation of fluid–solid flows with solids loadings greater than 0.001
($P D 1 $f > 0:001 in each control volume) (Elghobashi 1994, 2006). The
temporal and spatial gradients of the fluid phase are relatively small as a result,
3.6 Discrete Element Method 283
so that the influence of the fluid behavior on the determination of the particle
time step can be disregarded. The assumptions made to simplify the problem are
usually invalid for practical applications such as the circulating fluidized bed
or pulverized combustion. Disregarding turbulence is associated with serious
errors in the simulation results—these are either caused by high velocities in
the real system or are the result of the simultaneous occurrence of zones with
great differences in porosity. Great efforts in terms of meaningful experimental
and numerical investigations must therefore be made in order to gain a better
understanding of turbulence–particle interactions.
2. The particle time step size must be adapted to the required degree of accuracy
in the approximation of the tangential and normal contact force curves during
a particle–particle/wall collision. In the case of the linear spring-damper model,
the duration of a particle collision can be determined from the damped oscillation
equation (3.169) or (3.182) for the normal or tangential direction (as per Cundall
(1979)). The contact time describes the collision duration and corresponds to the
duration of the period T D =P . If the total contact time is resolved by NT
sub-time steps, we obtain the sub-time step size in the normal direction from:
s
Tn 2 mPij;min
Tn D D D 2
(3.253)
NT NT nP NT kPn 4 ˛P;Da .en /
Here ˛P;Da .en / and ˛P;Da .ˇ t / are determined from Eq. (3.167) and
Eq. (3.176). The smallest reduced mass mPij;min amounts to 0.5 mP in a
monodisperse system and 0.5 mP;min in a polydisperse system. If only the
absolute values after the collision are of interest, NT D 10 to 20 sub-time steps
suffice for an approximation. Precise course calculations of the contact force
curves, however, require a significantly higher number of sub-time steps (with
dependence on the spring constant). Götz (2006) compared the course of normal
penetration depth •n for a linear spring-damper contact model (as a function
of time) with different damping parameters ˛P;Da .en /. When we increase the
damping ratio in the oscillation equation, the contact time T n increases—
and consequently the sub-time step size T also increases. In addition, the
maximum penetration depth •nmax of the locus shifts to smaller values and •nmax
is achieved at an earlier point in time (see Fig. 3.56a). If the selected sub-time
step size is too large, as shown in Fig. 3.56b, the collision partners can already
exceed the physically meaningful, maximum penetration depth •nmax by •n
within the first sub-time step if their movement is linear and unrestrained. This
not only leads to an overestimated spring force due to the excessive depth of
penetration (•nmax C •n ), but also to an overestimated damping force caused by
284 3 Numerical Methods
(a) n (b ) n
n
max n
n n
max max
Fig. 3.56 Penetration depth course in the normal direction as a function of time
the excessive relative velocity (wEnPij C wEnPij ). In this case, a too-large contact
force in the normal direction is calculated as per Eq. (3.162)—and this leads to a
faulty energy balance, since violation of the third Newtonian axiom takes place.
3. The particle time step size must be selected in such a way that each particle is
registered in good time. Regardless of the relative velocity, neither of the two
collision partners may penetrate too far into the other before the collision is
detected and the appropriate contact forces counteract the particle movement.
As already mentioned, too-large penetration depths result in unrealistic spring
and damping forces and thus lead to an erroneous energy balance. To detect
a collision in good time, a maximum path length is needed, one which both
collision partners can cover together within one sub-time step. To this end, the
maximum normal penetration depth is determined using Eq. (3.169):
ˇ ˇ
ˇ n ˇ
n
ˇ.wEPij;max /.0/ ˇ DnP P
•nmax D q exp arctan (3.255)
2 2 P
n
DnP
nP C DnP
Here the normal time constants DnP and nP are calculated as per Eqs. (3.170)
or (3.171) for the greatest reduced mass mPij;max , since the maximum penetration
depth increases for large masses. The normal sub-time step size •n , in which
the maximum penetration depth is traveled, is given by:
•nmax
•n D ˇ ˇ
ˇ n ˇ
ˇ.wEPij;max /.0/ ˇ
n (3.256)
1 DnP P
D q exp n arctan
2 2 D n
nP C DnP P P
3.6 Discrete Element Method 285
The maximum tangential penetration •tmax and tangential sub-time step size
•t are determined in a similar way. While maximum penetration depth is a
function of relative velocity, the sub-time step size evinces no dependence on the
relative velocity. Götz (2006) found that a ratio of N• D 0.2 for the maximum
path length had a positive influence on the maximum depth of penetration:
n
N• DnP P
•n D q n 2 exp arctan (3.257)
n 2 nP DnP
P C DP
In this case, •n;t Tn;t (with NT D 10) applies for a visco-elastic collision
and •n;t D Tn;t for the purely elastic collision. To ensure the conservation of
energy, the previously calculated sub-time step sizes Tn and Tt , or •n and
•t must be identical and this results in the following relationship between kPn
and kPt :
2
kPt 7 4 ˛P;Da .en /
D 2
(3.258)
kPn 2 4 ˛P;Da .ˇ t /
In the two previously mentioned time step criteria, the normal spring constant
is determined as per Eq. (3.163). Equations (3.174) and (3.258) are available
for the calculation of the tangential spring constant. In Table 3.5, the tangential
spring constant kPt is calculated for the same collision configuration. The collision
partners are two identical spherical glass particles with a radius of rP D 1 mm
and the material properties P D 0:17, GP D 31 GPa (see Table 3.3), ˇ t D 0:33,
and en D 0:97 (Link 2006).
The approaches described above for calculating the normal and tangential
spring constants use only material properties and result in values of very high
magnitude. The resulting small sub-time step sizes can hardly be realized with
the computing power available today. Although the spring constants determined
in this way approximate reality satisfactorily, relative collision velocity is not
addressed in the models, so penetration may be unrealistic in the case of
a sufficiently high relative velocity (see Fig. 3.57). Since no limitation to a
maximum penetration depth exists, an additional criterion must be defined to
prevent unphysical penetration of particles or walls. It is specified by definition
that a penetration counts as unrealistic when the maximum penetration depth
is greater than the smallest particle radius (•nmax > rP;min ). When we apply the
condition •nmax rP;min , a minimal normal spring constant can be determined as
n
n
wPij,3 n n n
wPij,1 < wPij,2 < wPij,3
n
wPij,2 n n n
,1 ,2 ,3
n n n n
wPij,1 max,3 max,2 max,1
ˇ ˇ
ˇ ˇ
Fig. 3.57 Diagram illustrating the dependency between •nmax and ˇwEnPij ˇ
follows:
3 ˇ n ˇ2
4 rP;max
D %P ˇwEPij;max ˇ
n
kP;min
3 •n 2
max
2 0q 13 (3.259)
6 2˛P;Da .e /
n
B 4 .˛P;Da .en //2 C7
exp 4 q arctan @ A5
2 ˛P;Da .en /
4 .˛P;Da .en //
The maximum relative velocity wEnPij;max and the maximum penetration depth
•nmaxmust be specified here. The minimum tangential spring constant kP;min t
is
n n t
determined from Eq. (3.258) using kP;min . The variables kP;min and kP;min can now
be used to calculate T D Tn D Tt and • D •n D •t . The particle
time step size P can then be calculated from the following minimum function:
If the normal spring constant and the particle time step size are determined
using Eq. (3.259) and Eq. (3.260), respectively, this ensures that both the courses
of the locus (penetration depth) and the force curves can be approximated with a
satisfactory degree of accuracy—and that unphysical penetration of particles and
walls is avoided. With decreasing spring stiffness and the resultant increasing
particle time step size, a more concentrated decrease in total particle volume
occurs as a result of larger penetrations (see Fig. 3.58a). A full penetration during
a particle–wall collision represents the worst case scenario, since the particle
leaves the computational domain and is no longer available for the following
calculation (see Fig. 3.58b).
The use of exact spring constants is difficult to achieve in practice because
of long processing times and limited computing capacity—and this is why
we usually focus on reducing the order of magnitude. To find an acceptable
compromise between efficiency and the accuracy of results, Alobaid et al. (2010)
3.6 Discrete Element Method 287
(a) (b)
n 2 n 7
kP = 3 10 N/m kP = 3 10 N/m
3 3
N = 25 10 N = 25 10
Fig. 3.58 Influence of spring stiffness on the penetration behavior of collision partners
105
10 ms
Average computational time
104 20 ms
30 ms
per time step [s]
103
102
10
1
3 102 3 103 3 104 3 105 3 106 3 107 3 108
n
Spring stiffness kP [N/m]
Fig. 3.59 Average computation time required for various spring constant values (Alobaid et al.
2010)
computational time per fluid time step size T f in the case of a logarithmic plot
of the abscissa:
p n
T f kP (3.261)
It should be noted that a fluid time step size usually consists of several particle
time steps. The general opinion is that in the case of identical simulation duration
periods, an increase in the fluid time step size will result in an acceleration
of the simulation. Alobaid et al. (2010) were able to show, however, that this
relationship need not necessarily apply. To this end, he examined the influence
of the fluid time step size on the required computational time per fluid time step
size with otherwise identical simulation configurations and the same simulation
duration period (120 ms). A millisecond fluid time step size was subdivided into
eleven particle time steps. In this particular case, an increase in the fluid time
step size resulted in no appreciable acceleration of the calculation (see Fig. 3.60).
The underlying reason for this is because, on the one hand, the ratio of fluid to
particle time step size is greater than unity and, on the other, the computational
time required to calculate the particle phase accounts for a significantly larger
proportion of the total computational time than the computational time needed to
calculate the fluid phase; this is due to the great number of particles involved.
From the course of the curve, we can assume that even fluid time step sizes
smaller than 15 ms do not cause any significant increase in computational time.
Small fluid time step sizes lead to more accurate results in the simulation—and
that is generally the objective for practical applications—but reducing the fluid
time step size too much will result in a significant increase in computational time.
This gives rise to the following question—if we reduce the fluid time step size
in a specific case, which ratio of fluid to particle time step size will start to lead
to a noticeable increase in computational time? In order to answer this question,
further series of simulations must be carried out to determine the influence of the
fluid time step size on the computational time.
Computational time per
fluid time step size [s]
Fig. 3.60 Computational time when varying the fluid time step size (Alobaid et al. 2010)
3.6 Discrete Element Method 289
This chapter covers the flow chart of the soft sphere model (see Fig. 3.61) and that
of the hard sphere model (see Fig. 3.62). Calculation examples for the DEM model
can be found in Sect. 4.6.
To calculate a fluid–solid flow using the soft sphere model, we require the geometric
data of the problem domain to generate the fluid grid (and possibly also the average
particle grid and the particle search grid). The multi-grid method is one option for
reducing the level of computational complexity involved in calculating the fluid
phase. To further accelerate the simulation, we can use parallelization, i.e., where
the computational domain is divided into several blocks and each sub-domain
is assigned to one processor. Data transfer between the blocks, which is carried
out by means of special software (e.g., MPI) requires that the boundary cells of
adjacent areas are linked with one another. In the next step, we define the boundary
conditions, such as the inlet mass flows, the fluid time step size, the number of
particles, and the material properties of the fluid and solid phases. After specifying
the particle size distribution function, the particles can be generated and distributed
anywhere in the computational domain. The reservation and initialization of the
solid and fluid variables, including velocities, pressure, and porosity must now be
carried out. To calculate the fluid phase, the continuity and momentum equations
are discretized—here the generated linear equations are solved iteratively. A direct
solution of the Navier–Stokes equations for the fluid phase is not possible, because
the pressure is not yet known—and its gradients are included in the momentum
equations. This is why the pressure correction equation is introduced, through
which the mass conservation kinematically restricts the velocity field, i.e., the
pressure correction ensures the conservation of the continuity equation (in case of
incompressible flows). The velocity and pressure fields of the fluid phase are stored,
then transferred to the average particle grid by means of averaging. The pressure
and velocity gradients of the fluid are determined in the average particle cells. Now
we can perform the calculation of the moment of force and volume forces acting on
the particle and also calculate the fluid–particle interaction and short-range forces
(which are themselves surface forces) between the particles. The translational and
rotational velocities of the particles and their new positions and rotation angles
are obtained from the momentum and angular momentum conservation equations.
Using the current location of particles, the particles are assigned to the different
grids (fluid grid, average particle grid, and particle search grid). The momentum
transfer from the particle to the fluid phase and the determination of porosity is
carried out only when the sum of the sub-time step sizes has attained the value of
the fluid time step size. A data backup of the particle phase is then carried out and a
check performed to ascertain whether or not the predetermined number of fluid time
290 3 Numerical Methods
Start
Updating of macroscopic
Data backup of
the fluid phase
Solving of the momentum
conservation equations for values
the fluid phase
Calculation of volume
Fluid phase
forces, fluid-particle
Mass balance interaction forces
completed and moments of force
satisfactorily? Yes
No Deterministic
collision detection
Solving of the pressure
correction equation
Determination of short-range
forces and moments of force
Time loop
Particle phase
No Number of fluid motion for the particle phase
time steps complete?
End
Data backup of
Yes
Fig. 3.61 Flow chart for the calculation of a fluid–solid flow using the soft sphere model (Alobaid
et al. 2013)
3.6 Discrete Element Method 291
Start
End
Minimal collision time Updating of all
(i,j) collision times
P,col
the particle phase
Data backup of
Fig. 3.62 Flow chart for the calculation of a fluid–solid flow using the hard sphere model
steps has been attained. If this is not the case, the entire algorithm is run again until
all the fluid time steps are complete.
The flow chart of the hard sphere model is similar to that of the soft sphere mode in
design—it is the type of collision detection that constitutes the essential difference
between the two models (see Fig. 3.62).
292 3 Numerical Methods
3.7.1 Introduction
The problems an engineer has to face have always been complex—and to calculate
a solution, he was often forced to simplify many details of well-known models,
simply because he did not have the proper computational means at his disposal.
With today’s computers, however, the performance of which is increasingly pushing
the envelope, the modern engineer can now program—and solve—even the most
complex problems or systems of equations in the form of a computer program.
Mathematics has long been developing relevant algorithms to solve complex
systems of equations—but it is only through computers that these algorithms show
their true worth—and they also be refined. Table 3.6 lists several types of equation
systems with examples from the energy sector and their solution algorithms.
Not all solution algorithms are based on analytical approaches. There are two
reasons for this:
1. no analytical solutions have been found for many complex systems of
equations—and it is very often doubtful that any will be found;
2. the implementation of a computer program can often be used for more problems
if we do not use analytical procedures.
This leads to a new problem area, namely the field of numerical errors—the engineer
must know which numerical algorithm to use to solve a problem, under which
boundary conditions the algorithm applies and what errors to expect. An engineer
can never assume that the algorithm will also calculate the physically correct result
even in the case of convergence. This is evident in the fact that even analytical
methods such as the Gaussian algorithm cannot calculate correctly—because a
computer can only calculate with rational numbers, not real ones.
This is why the principles of the algorithms used in the book will now be briefly
introduced in this chapter—and the following chapters have been adapted from
Bronstein et al. (2000), Papula (1994), Patankar (1980), and Press et al. (1989).
As per Papula (1994), a linear system of equations with n variables and m equations
in the following form:
The matrix A is known as the coefficient matrix, the vector bE is the vector of
the right-hand side, and the vector xE is the solution vector. The linear system of
equations can then be presented as follows, using matrix notation:
AE xE D bE (3.262)
The rank describes the number of rows of the triangulated matrix A and of the
extended triangulated matrix .AjbE / (also staggered system of equations), which are
not equal to zero. Triangulation is carried out using equivalent transformations of
matrices—and these transformations can be automated by means of the Gaussian
algorithm.
294 3 Numerical Methods
If the ranks are not identical, no solution exists—we call this a singular system
of equations. If the ranks are equal, we must differentiate between the following
cases:
1. If r D n, exactly one solution exists.
2. If r < n, an infinite number of solutions exist. Here nr parameters can be freely
chosen.
For the special cases of the quadratic, linear (and inhomogeneous) systems of
equations, i.e., n D m, singularity can be ascertained by means of the determinant
of the matrix A. If
det .A/ ¤ 0;
Gaussian Algorithm
The Gaussian algorithm can be used to solve a linear system of equations (as per
Press et al. (1989) and Papula (1994)). The algorithm triangulates the extended
coefficient matrix.
0 1
a1;1 a1;2 a1;n1 a1;n b1
Ba b2 C
B 2;1 a2;2 a2;n1 a2;n C
B C
B a3;1 a3;2 a3;n1 a3;n b3 C
B: :: :: :: :: C
B: C
B: : : : : C
B C
@ am1;1 am1;2 am1;n1 am1;n bm1 A
am;1 am;2 am;n1 am;n bm
+
0 1
a1;1 a1;2 a1;n1 a1;n b1
B0 a2;2 a2;n1 a2;n b2 C
B C
B C
B0 0 a3;n1 a3;n b3 C
B: :: :: :: :: C
B: C
B: : : : : C
B C
@0 0 am1;n1 am1;n bm1 A
bm
xm D
am;n
Index of the rows j D .m 1/ : : : 1
X n
1
xj D bj aj;k xk
aj;j kDjC1
Gauss–Seidel Method
The Gauss–Seidel method (as per Bronstein et al. (2000)) is a single-step iterative
method for solving systems of linear equations. It is based on an estimated solution
vector xE , which is then improved in each iteration step.
296 3 Numerical Methods
The Gauss–Seidel method is derived from the Jacobi method, where each
equation fi is solved using the variable xi , with the proviso that all diagonal elements
do not equal 0.
The solution vector xE is thus improved in each iteration step. The Jacobi method is
not covered in this book, since—in contrast to the Gauss–Seidel method—it has very
simple convergence criteria. While the Jacobi method calculates the solution vector
xE.C1/ from the solution vector in the preceding iteration step xE./ in one single step,
the Gauss–Seidel method attempts to augment the following individual steps with
.C1/
the enhanced information (from the past individual steps) of each component xi
.C1/
in the vector xE .
The Gauss–Seidel method generally converges faster than the Jacobi method.
equation and xn . Since the equation in the last row only correlates xn1 and xn , xn can
be calculated in the last step. If we know xn , the other variables can be calculated in
the opposite direction (i.e., backwards).
The algorithm first calculates initial values:
ausd 1
c1 D and
amd 1
b1
k1 D :
amd 1
Index i D 2:::n
ausd i
ci D and
amd i alsd i ci1
bi C alsd i ki1
ki D :
amd i alsd i ci1
xn D kn
Index i D .n 1/ : : : 1
xi D ci xiC1 C ki
Line-by-Line Algorithm
Constants
(known from the last iteration)
taking the neighboring elements into consideration. Two different shaded areas are
shown in the figure, one for a boundary condition and one for a center element.
./ ./
cx;y D bx;y C ax1;y Tx1;y C axC1;y TxC1;y
.C1/ .C1/ .C1/
ax;y Tx;y D ax;y1 Tx;y1 C axC1;y TxC1;y C cx;y
The coefficients are derived from the linearization of the partial differential
equation. This iteration step is now repeated for all lines in all coordinate directions
until the desired overall quality is achieved.
The line-by-line algorithm converges very quickly, because boundary values
are immediately written into the computational grid during each iteration step,
regardless of the number of points the grid in question has. The lines should
therefore start (as often as possible) from volume elements in which boundary values
are defined. It is also useful to iterate more often within the flow than across it.
0 D f.xE /
3.7 Solution Algorithms 299
J./
x vE./ D RE ./
A linear equation system must therefore be solved in each iteration step. This can
be done using the Gaussian algorithm, for instance. The improved solution vector
can then be calculated as follows:
0 .C1/ 1 0 ./ 1 0 ./ 1
x1 x1 v
B .C1/ C B ./ C B 1./ C
Bx2 C B x2 C Bv2 C
B : C D B : C C fDa B : C
B : C B : C B : C
@ : A @ : A @ : A
.C1/ ./ ./
xn xn vn
x( ) (
x )
x( ) x
The partial derivatives in the Jacobian matrix can also be calculated numerically,
in that the difference quotient is used in the first approximation instead of the
differential quotient.
@fi .x/
E fi .x1 ; : : : ; xi1 ; xi C ; xiC1 ; : : : ; xn /
@xi
The iteration can be stopped when the residual vector RE has achieved the desired
quality. The method is locally quadratic convergent. If the start vector is too far from
the solution vector, however, divergence quickly occurs.
A graphical interpretation of the method using a 1D case is shown in Fig. 3.64.
A tangent is applied to the residual function in the current estimated value. The
intersection of the tangent with the x-axis creates the new estimated value. Graph-
ical interpretations can, however, quickly become confusing in multidimensional
systems of equations.
3.7.4 Relaxation
Ferziger and Perić (1999)). In contrast, over-relaxation is not effective in the case of
the line-by-line algorithm and this is why an under-relaxation (weakening) of the
method is carried out.
Under-relaxation is a particularly helpful tool for markedly non-linear problems,
since it avoids a divergence of the iterative method. The numerical solution of
large non-linear systems of equations is therefore usually associated with an under-
relaxation of the method.
The following shows how an under-relaxation can be included in the algebraic
equations used in the pressure correction methods. To do this, we base our calcu-
lation approach on the discretized conditional equation of the general differential
equation for the grid point P (shown in Fig. 3.19) up to the iteration step of the
outer loop.
X
a P P D anb nb C bP (3.263)
nb
1
Converting and adding P gives us
P
1 anb ˚nb C bP 1
P D P C nb
P (3.264)
aP
1
where i denotes the value of the required variable from the previous iteration
step. If we now expand Eq. (3.264) with the relaxation factor Rel and subsequently
convert it, the result is the new conditional equation for the variable P :
aP X aP 1
P D anb nb C bP C .1 Rel/ (3.265)
Rel nb
Rel P
%=2 represents the value of the density after the update, while % denotes the value
for the new iteration step.
Basing their work on the 1-dimensional transient simulation of hot startup proce-
dures of two heat recovery steam generators, Walter and Weichselbraun (2002b) and
Walter (2007a) showed the influence of the under-relaxation factors for pressure,
density, spec. enthalpy, and velocity on the convergence of the four pressure
correction methods SIMPLE, SIMPLEC, SIMPLER, and PISO. The necessary
calculations required for this study were carried out on a staggered computational
grid based on the steam generator models in Sect. 6.3. Majumdar (1988) illustrates
the influence of under-relaxation on the interpolation of the velocities in momentum
balance, using flow calculation on a non-staggered computational grid.
In these zones, the time variation of the state variables is in the foreground—
so the changes of state can be described mathematically by ordinary differential
equations. The flows between the individual areas or subassemblies are included in
the parameters.
With this modeling, we can make use of the integrators already available in
various simulation software programs (such as MATLAB/SIMULINK). These are
used to calculate the changes of state in the individual zones. Since each block can
only be processed one after the other, the influence of the flows between the zones
can only be considered explicitly.
Depending on the point at which the boundary conditions of the differential
equations are defined, this is known as initial value problems (boundary condition
at the point D 0) or boundary value problems (boundary condition at the point
¤ 0).
This problem belongs to the standard repertoire of differential calculus and is
of course discussed in numerous textbooks with the help of different approaches—
examples here are Stiefel (1970), Becker et al. (1977), Vesely (2005), or Press et al.
(1992) inter alia.
In the following, the initial value task
yE 0 D fE.; y/
E E 0 / D yE0
y. (3.267)
is dealt with procedurally as shown in Becker et al. (1977). For some functions
fE.; y/,
E exact solutions of Eq. (3.267) are known, but approximation methods must
be used in all other cases. If the independent variable yE D yE0 is given or calculated
for a point D 0 , the result from Eq. (3.267) is as follows:
so the derivative at this point is also known. Figure 3.65 illustrates this.
If the differential equation is of the k-st/nd/rd/th order, it can be transformed into
a system of k differential equations of the 1st order, which is why only the differential
equations of the 1st order are processed further.
The following approaches are mainly used for the numerical solution of the
differential equation (3.267):
y0 y1
0 1= 0+h
304 3 Numerical Methods
All the procedures in this section are based on the principle of considering only
discrete values for the independent variable. This creates a discretized alternative
problem from Eq. (3.267). A fixed step size h is given, as well as
While the pair of points .n ; yn / lies on the solution curve of the differential
equation (3.267), .n ; un / denotes an approximation for .n ; yn /.
Using the fundamental theorem of differential and integral calculus, we obtain
the following from Eq. (3.267):
Z1
y1 y0 D f ; y./ d D J.0 ; h/ (3.271)
o
h2 00 h3 000
y1 y0 D h y00 C y C y0 C : : : (3.272)
2Š 0 3Š
We now look for approaches for J.0 ; h/, with the aim of achieving compatibility
with the right-hand side of Eq. (3.272) in as many powers of h as possible.
We know 0 and y0 , so y00 D f .0 ; y0 / is also known. Other values of f are created
for 0 ˛i 1 and combined in such a way that
X
m
J.0 ; h/ ai f .0 C ˛i h; y0 C bi / (3.273)
iD1
3.7 Solution Algorithms 305
is compatible with Eq. (3.272), when suitable choices are made for ai ; ˛i and bi ,
and in as many powers of h as possible. All the values used are derived from the
one interval Œ0 ; 0 C h—hence the name one-step method. An approximation u1 is
therefore determined by means of
X
m
u 1 D y0 C ai f .0 C ˛i h; y0 C bi / (3.274)
iD1
X
m
unC1 D un C ai f .n C ˛i h; un C bi / n 2 Nn (3.275)
iD1
According to Brenan et al. (1995), Ascher and Petzold (1998), and Bronstein et al.
(2000), the simplest method for numerical integration of differential equations is
the forward Euler algorithm. Here the integration intervals are discretized with a
step size iC1 i D hi . In the case of an initial value problem, the initial vector
of the solution functions yE0 is known. Continuing from this point, we can integrate
step-by-step by using the last calculated reference points. The solution function is
expanded using a Taylor series and truncated after the linear term.
The vector of the first derivative of the solution function can be replaced by the
vector of the explicit differential equations.
yE .iC1 / D yE .i / C hi fE i ; y.
E i/ (3.277)
In the case of stiff systems of differential equations, the solutions of explicit solution
algorithms such as the forward Euler may deviate greatly from the analytical
solution (Ascher and Petzold 1998; Brenan et al. 1995). This is why a system
of differential equations is known as stiff, where a very small step size of the
numerical solution procedure has to be chosen in order to obtain acceptable
306 3 Numerical Methods
The geometric interpretation of the backward Euler algorithm is that the slope
is not calculated from the last calculated time step , but from the time step
C 1, which has to be calculated afresh. With each time step, the backward
Euler algorithm creates an implicit system of equations that must be solved—
and a relevant solution procedure (Gauss or Newton) must be used to solve them,
depending on the nature of the equations (linear or non-linear).
As described above,
Z1
yE1 D yE0 C fE ; y./
E E 0 ; h/
d D yE0 C R.
0
X
m
E 0 ; h/ D
R. ai fE 0 C ˛Ei h; yE0 C bEi (3.281)
iD1
X
m
uE1 D yE0 C ai fE 0 C ˛Ei h; yE0 C bEi (3.282)
iD1
3.7 Solution Algorithms 307
h2 00 h3 000
yE1 D yE0 C h yE00 C yE C yE C : : : (3.283)
2Š 0 3Š 0
To clarify the method, we first look for a solution to this problem in such a way
that compatibility in the powers from h up to h2 is achieved. To this end, two values
are introduced and Eq. (3.282) with ˛E1 D bE1 D 0 and bE2 D ˇE1 kE1 in the form
we can write Eq. (3.283) (by reason of yE 0 D fE and yE 00 D fE C fEy fE) in the following
form:
h2 E
yE1 D yE0 C h fE .0 ; yE0 / C f .0 ; yE0 / C fEy .0 ; yE0 / fE.0 ; yE0 / C : : : (3.286)
2
The coefficient comparison between equations (3.285) and (3.286) gives us
a1 C a2 D 1
1
a2 ˛E2 fE .0 ; yE0 / C a2 Ě1 fE.0 ; yE0 / fEy .0 ; yE0 / D fE .0 ; yE0 / C
2
1
C fEy .0 ; yE0 / fE.0 ; yE0 /
2
308 3 Numerical Methods
This system should be fulfilled for all functions fE, fE , and fEy . This results in
1 1
a1 C a2 D 1; a2 ˛E2 D and a2 Ě1 D (3.287)
2 2
These are three equations for each function with four unknowns, so one unknown
can be chosen freely. In
1 1
a1 D 1 ; a2 D and ˇE1 D ˛E2
2 ˛E2 2 ˛E2
˛E2 is the parameter to be selected. This results in the following for ˛E2 D 1=2:
h kE1
kE1 D h fE .0 ; yE0 /; kE2 D h fE 0 C ; yE0 C and uE1 D yE0 C kE2 (3.288)
2 2
1E
kE1 D h fE .0 ; yE0 /; kE2 D h fE 0 C h; yE0 C kE1 and uE1 D yE0 C k1 C kE2
2
(3.289)
Eqs. (3.288) and (3.289) are both one-step methods of second order. In general,
we cannot say that one of the formulae is better than the other. This can be different
with differing right-hand sides fE.; yE/.
The approach to achieve compatibility of the powers from h to h4 is of
considerably greater importance. The computational complexity involved is much
greater, but in principle, it gives us nothing new. With
we obtain the following eight equations for ten unknowns per function:
a1 C a2 C a3 C a4 D 1 (3.295)
1
˛E2 a2 C ˛E3 a3 C ˛E4 a4 D (3.296)
2
3.7 Solution Algorithms 309
1
˛E22 a2 C ˛E23 a3 C ˛E24 a4 D (3.297)
3
1
˛E32 a2 C ˛E33 a3 C ˛E34 a4 D (3.298)
4
1
˛E2
E2 a3 C .˛E2
E3 C ˛E3 ıE3 / a4 D (3.299)
6
1
˛E22
E2 C .˛E22
E3 C ˛E23 ıE3 / a4 D (3.300)
12
1
˛E2 ˛E3
E2 a3 C .˛E2
E3 C ˛E3 ıE3 / ˛E4 a4 D (3.301)
8
1
˛E2
E2 ıE3 a4 D (3.302)
24
It can be shown that ˛E4 D 1 always applies. Since we have eight equations with
ten unknowns, we can choose two unknowns freely (2 degrees of freedom).
By selecting two parameters of the system (3.295), Runge and Kutta expanded
several one-step methods of the fourth order. The method which results from
˛E2 D 1=2 and ıE3 D 1 is very often used.
The goal of step size control is to achieve a pre-defined degree of accuracy in the
calculation result—with a minimum of computational time. In zones in which strong
310 3 Numerical Methods
y’ = τ + y h = 1
0.5 τ0 = 0 P
y0 = -0.1
0.4
0.3 y(τ) 1 1 1 1
u1 = y0+ k1+ k 2 + k3 + 6 k4
6 3 3
0.2
0.1 P 1 1 1
y0+ k1+ k 2 + k3
τ0 + 61 h 1 1
6 3 3
0.0 y0+ k1+ k 2
6 3
τ0 τ
P τ0+21 h τ0+ 65 h τ 1= τ 0+h
y 1
y0+ k1 P
6
gradient changes occur, many small steps should provide the necessary precision,
while zones with minimal gradient changes should be bypassed by means of a few
large steps.
The simplest type of error estimation upon which a step size control can be
established is based on carrying out the calculation once with the step size h and
once again with twice the size hQ D 2h. The error is then determined from the
difference between the two approximate solutions.
If yEi . C 2h/ is the exact solution at the point C 2h and uE1 and uE2 are two
approximate solutions obtained by simple application of the double step size hQ (or
two times the simple application of the step size h), then yEi . C2h/ can be developed
as follows in a Taylor series expansion:
The approximation
E D uE2 uE1
ıFe
Equation (3.315) differs from Eq. (3.314) in the use of other coefficients c and
the omission of the terms of the sixth order in h. The difference between the results
312 3 Numerical Methods
Table 3.7 Coefficients for the embedded Runge–Kutta method of the fourth order with adaptive
step size control
i ai bi;j ci c
i
37 2825
1 378 27648
1 1
2 5 5
0 0
3 3 9 250 18575
3 10 40 40 621 48384
3 3 9 6 125 13525
4 5 10
10 5 594 55296
5 1 11
54
5
2
70
27
35
27
0 277
14336
7 1631 175 575 44275 253 512 1
6 8 55296 512 13824 110592 4096 1771 4
jD 1 2 3 4 5
6
X
ıFei D nEi;jC1 nEi; jC1 D .ck ck / kEk
kD1
Now we can use Eq. (3.316) to define a required degree of accuracy ıFeset :
ıFeset kıEFe i; 2 k
If the case max kıEFe i k > ıFeset arises in the simulation, a reduced step size h2
can be determined, with which we can attempt to carry out the failed step again. If
max kıEFe i k < ıFeset is the case, however, we can derive from this the value by which
we can safely increase the step size for the next step.
3.7 Solution Algorithms 313
y-1 y0 y1
τ-1 τ0 τ1 τ
Multi-Step Methods
Here it is assumed that not only y0 and thus y00 are known, but also y0 ; y1 ; : : : ; ym
and thus y00 ; y01 ; : : : ; y0m . The following approach
X
m
J.0 ; h/ ai y1 C bi h y0i C b1 h u01 (3.317)
iD1
is then made for the broadest possible approximation to the Taylor expan-
sion (3.272). The coefficients ai and bi are determined accordingly.
Figure 3.67 illustrates the problem. If b1 ¤ 0, the still unknown value u01 D
f .1 ; u1 / occurs on the right-hand side of
X
m
u 1 D y0 C ai yi C bi h y0i C b1 h u01 (3.318)
iD0
Equation (3.318) can then only be solved iteratively. In the second and subse-
quent steps, approximate variables appear on the right-hand side, as in the one-step
method
X
m
unC1 D un C ai uni C bi h u0ni C b1 h u0nC1 (3.319)
iD0
Since we use the function values of several intervals for each computation of
a new value, this is known as the multi-step process. However, it must be borne
in mind that only one further step is calculated in both one-step and multi-step
methods.
314 3 Numerical Methods
Adams–Bashforth Method
will now be used. To compare this approach with the Taylor expansion in
Eq. (3.272), we form
0 h2 000
uEn1 D uE 0 .n h/ D uEn0 h uEn00 C uE : : : (3.321)
2 n
0
uEn2 D uE 0 .n 2h/ D uEn0 2 h uEn00 C 2 h2 uEn000 : : : (3.322)
Comparing the first three powers of h with Eq. (3.272) results in the following:
b0 C b1 C b2 D 1 (3.326)
1
b1 2 b2 D (3.327)
2
1 1
b1 C 2 b2 D (3.328)
2 6
h
uEnC1 D uEn C .23 uEn0 16 uEn1
0 0
C 5 uEn2 / (3.329)
12
There are also different versions of the predictor–corrector method for solving
ordinary differential equations. The basic idea here is to progress with one step
on the -axis by a specific distance h and determine (for this new value) estimated
values for the corresponding function values y.E These estimates are then integrated
E
into an algorithm for correcting the function values y.
3.7 Solution Algorithms 315
The simplest approach is the method of Heun with a predictor step as per Euler:
Predictor: 0
yEiC1 D yEi C fE.i ; yEi / h (3.330)
Here the predictor step error is of the h2 order, while the corrector step error is of
the order h3 . One way of increasing the predictor step error order to h3 is to use the
function values yEi1 instead of the function values yEi and proceed with 2 h.
Predictor: 0
yEiC1 D yEi1 C fE.i ; yEi / 2 h (3.332)
Predictor: 0
yEiC1 D yEm E
i1 C f .i ; yEi / 2 h
m
(3.334)
is formed for the determination of y./. Equation (3.337) is written thus for h=2
2 4
h h h
f ; D y./ C e1 ./ C e2 ./ C ::: : (3.338)
2 2 2
316 3 Numerical Methods
This function approximates y./ more accurately than f .; h/, because the error
is proportional to h4 rather than h2 . Since we combine f .; h/ and f .; h=2/ as
functions of h to approximate the value for h D 0, (i.e., f .; 0/), which lies outside
of the interval Œh=2; h, this is known as an extrapolation method.
f . C / f ./
f 0 ./ D lim (3.342)
!0
3.7 Solution Algorithms 317
If the analytical derivatives are not implemented as known quantities, they must
be numerically computed at run time, depending on the current working point.
The simplest way to calculate the derivative of a function at the working point 0 is
to take the step back from the differential coefficient to the difference quotient—i.e.,
to have take a small finite value. This is called a forward-difference formula or
two-point formula.
f . C / f ./
f 0 ./ (3.343)
According to Faires and Burden (1995), the accuracy of the method can be
improved by using several points in the immediate vicinity of the working point
to calculate the derivative.
The problem with the two-point formula is that the local truncation error has an
order of O./. In order to improve the quality of the derivative, must therefore
be minimized. According to Martins et al. (2000), this inevitably leads to numerical
errors due to the small differences. The function f ./ must also be solved twice and
this has negative effects on the computational speed.
The complex-step for the derivation of analytic functions is based on the forward-
difference formula and the Cauchy–Riemann differential equation. The example
chosen here is based on the publications by Lyness (1967), Martins et al. (2000),
and Martins et al. (2001b). A function f .zC / (with zC D xC C i yC and the imaginary
number i) is regarded as being regular if the function is differentiable in the interval
GI . The Cauchy–Riemann differential equations then apply:
where zC is a complex number with the imaginary part yC , the real part xC , and the
functions vf and uf .
Using equation (3.345) we can now write the following:
In this case, we can confine ourselves to the real axis, since f is a real function
with real variables.
The adjoint approach is used when derivations of large systems of equations must
be calculated as per boundary conditions as a result of an optimization task. The
example of the adjoint approach illustrated here is based on Martins et al. (2001a)
and Fazzolari et al. (2007).
When an optimization problem has to be solved, this usually means that an
optimization function R needs to be minimized or maximized. An extreme point
can be found analytically through the zero search of the first derivative of the
optimization function. The optimization function, however, can often not be derived
analytically. In these cases, we can use gradient methods, for example, to determine
an extreme point, where we only have to calculate derivatives in the current working
points.
The optimization function R should be dependent on several design variables rj .
And the optimization function must still fulfill some physical boundary conditions
with the variables bk .
R D R.rj ; bk / (3.350)
Bk .rj ; bk / D 0 (3.351)
ıR L j C @R ıb
L D @R ır L k (3.352)
@rj @bk
L j and ıb
The variables ır L k are not independent of one another, if we assume that
the physical boundary conditions are to be met. A dependence between the variables
can be calculated using the total differential of the physical boundary conditions.
L D @Bk ır
ıB L j C @Bk ıb
L kD0 (3.353)
@rj @bk
Since Eq. (3.353) is equal to zero, it can be added to Eq. (3.352) using any
coefficient vector k , which is known as the vector of adjoint variables. The
approach is the same as is used in the method of Lagrange multipliers. The adjoint
variables then correspond to the Lagrange multipliers.
L D @R ır
ıR L j C @R ıb
L k C k @Bk L
ırj C
@Bk L
ıbk (3.354)
@rj @bk @rj @bk
320 3 Numerical Methods
Since the values of the vector k are arbitrary, the rear expression in brackets is
set back to zero. The result is a linear system of equations with the aid of which the
vector k can be determined.
T
@R @Bk
D k (3.356)
@bk @bk
The front part of Eq. (3.355) can then be used for determining the partial
derivatives.
dR @R @Bk
D C k (3.357)
drj @rj @rj
The adjoint approach thus enables the analytical calculation of the partial
derivatives of single equations that are dependent on entire sets of equations. The
process is therefore very efficient, since the system of equations only has to be
solved once—and only a linear equation system for the exact calculation of the
derivatives remains to be solved.
Chapter 4
Simulation of Firing and Gas Flow
Gaseous, liquid, and solid fuels are generally (and understandably) burned in very
different furnaces—but there are of course furnaces that can be fueled with gaseous,
liquid, and solid fuels.
Furnaces include the controlled delivery of fuel and air, their mixing and
combustion, and the removal of the combustion gases and possibly of ashes and
slag where applicable. These also include ignition systems, flame monitoring and,
if need be, auxiliary firing.
4.1 Basics
There are basically four types which are the result of laminar and turbulent flow
forms in the flame and the premixing of fuel and air (premixed flames) or the mixture
of fuel and air during the combustion process (diffusion flames). Turbulent diffusion
flames are generally the most technically significant in power station firing. Also jet
flames (only axial flow) and swirl flames (axial flow with superimposed rotational
or swirl flow) can be distinguished.
B. Epple ()
Department of Energy Systems and Technology, Technical University of Darmstadt,
Otto-Berndt-Str. 2, D-64287, Darmstadt, Germany
e-mail: Bernd.Epple@est.tu-darmstadt.de
R. Leithner • H. Müller
Institute of Energy and Process Systems Engineering, Technical University of Braunschweig,
Franz-Liszt-Str. 35, D-38106, Braunschweig, Germany
W. Linzer • H. Walter • A. Werner
Institute for Energy Systems and Thermodynamics, Vienna University of Technology,
Getreidemarkt 9, A-1060, Vienna, Austria
There are numerous approaches for describing gaseous, liquid, and solid fuels,
depending on the purpose for which the information is needed.
The following are of course generally important:
• the (lower) heating value Hu or the calorific value Ho ((upper) heating value
including the heat of vaporization of the water vapor contained in the flue
gas). This value specifies the energy released during combustion and is either
measured with calorimeters or can be determined according to the “Industry
Association Formula” from the elemental analysis (comprises C, H, O, N, and
S contents):
"
YO2
Hu D 33907 YC C 142324 YH2 C 10465 YS
8
#
2512 YH2 O C 9 YH2 103
" #
YO2
Ho D 33907 YC C 142324 YH2 C 10465 YS 103
8
We also require:
• The specific air and flue gas volumes that are essential for determining the
required air flow and the flue gas flow or off-gas flow to be dissipated—these
volumes are indispensable for the design of fresh air blower and induced draught
fans. They are either calculated from the
• elemental analysis (comprising C, H, O, N, and S contents), or from the statistical
combustion calculation. The statistical combustion calculation uses only the
calorific (heating) value and the fuel type to determine the C, H, O, N, and
S contents (Brandt 1999a)—this is sufficient for the design, since a range of
different fuels with different elemental analyses has to be covered in any case.
• The ash and water content of solid and (in part) liquid fuels are of course
also important—these are determined together with the volatile matter in the
proximate analysis (see also Sect. 4.3.1). However, if the ash has, e.g., a high
carbonate content, the volatile matter can evince a major proportion of a non-
combustible gas, such as CO2 .
• Specific density (specific volume)—and also the bulk density in the case of solid
fuels—to calculate velocities and also volumes of the silos, etc.
• Thermal conductivity and viscosity for the calculation of heat transfer, when the
fuel is heated.
• In the case of solid fuels: grindability (Hardgrove 1968) and particle size
distribution (Brandt 1999a).
4.1 Basics 323
All these data and detailed calculation methods can be found in Brandt (1999a)
et alia. These variables can not only be used for fan design, but also for the energy
balance of the steam generator and combustion chamber design.
The specific air and flue gas volumes and the compositions of the flue gases
are determined by means of the combustion calculation, shown below in heavily
concentrated form. Details can be found in Brandt (1999a):
In the case of complete stoichiometric combustion, a fuel consisting of the nC
kmol of carbon (C), nH kmol of hydrogen (H), nS kmol of sulfur (S), nO kmol
of oxygen (O), and nN kmol of nitrogen (N) requires a certain amount of oxygen
molecules (O2 ). This amount is given by the following equation—and here the
following flue gas is created;
nH nO
CnC HnH SnS OnO NnN C nC C C nS O2 !
4 2
(4.1)
nH nN
nC CO2 C H2 O C nS SO2 C N2
2 2
With the molar mass of the fuel
nH nO nN
MFuel D nC MC C MH2 C nS MS C MO2 C MN2 (4.2)
2 2 2
the result for 1 kg fuel is both the specific oxygen requirement O2 st [kg O2 /kg
fuel] (in the case of stoichiometric combustion with pure oxygen) and spec. flue gas
partial amounts CO2 st , H2 OstO , SO2 st , and N2 stO .
nH nO
nC C C nS MO2
4 2
1kg fuel C kg O2 !
MFuel
„ ƒ‚ …
O2 st
nC MCO2 nH MH2 O
! kg CO2 C kg H2 OC (4.3)
MFuel 2 M
„ ƒ‚ … „ ƒ‚Fuel…
CO2 st H2 OstO
nS MSO2 nN MN2
C kg SO2 C kg N2
MFuel 2 M
„ ƒ‚ … „ ƒ‚Fuel…
SO2 st N2 stO
small amounts of the products of incomplete combustion, these amounts are usually
disregarded. Similarly, the loss due to unburned fuel should also not be too great—it
is directly related to the unburned content in the ash (DIN 1942, June 1979).
The dry air requirements in stoichiometric combustion can be ascertained from
the specific oxygen requirement O2 st (in stoichiometric combustion with oxygen),
if we know the composition of the dry air (see Table 4.1):
O2 st
Air;dr;st D (4.4)
0:23151
We can use the mass fractions, molar masses, and molar volumes (around 22.4
m3 /kmol) to calculate the density of dry air in normal conditions at %Air;dr D 1:293
kg/m3 . The water content of the air must also be addressed—this is generally based
on 1 kg of dry air:
% H2 O p H2 O;g 0:8038 'Air p H2 O;g;Sat
YH2 O;Air;dr D D
%Air;dr p p H2 O;g 1:293 p 'Air p H2 O;g;Sat
(4.5)
0:804 VH2 O;mol
D
1:293 VAir;dr;mol
The excess air number nAir is defined as the ratio of the actually supplied spec.
volume of combustion air (dry or humid) to the spec. stoichiometric air requirement
(dry or humid).
Air;dr Air;moi
nAir D D (4.6)
Air;dr;st Air;moi;st
The excess air number depends mainly on the fuel but also on the type of
combustion system—the number can also vary inside the combustion chamber
by reason of primary NOx reduction (air staging, overfire air, and fuel staging).
Reference values are given in Table 4.2.
The density of humid air in normal conditions is determined by means of
1 X Yi
D (4.7)
% i
%i
Table 4.2 Reference values of the adiabatic combustion temperature for several fossil fuels at
normal excess air values and normal air temperatures
Excess air Adiab. combustion
nAir Air temp. temperature of
- #Air the flue gases #Fgas;ad
ı ı
Fuel Earlier Today C C Remarks
Natural gas 1:05 1:03 Approx. 300 Approx. 2200
Heavy fuel oil 1:10 1:05 Approx. 300 Approx. 2250
Brown coal 1:25 1:15 Approx. 300 Approx. 1400 Fluctuates greatly
with the heating
value
Hard coal 1:25 1:15 Approx. 350 Approx. 2150
Y H2 O;Air;dr
Y H2 O;Air;moi D (4.8)
1 C Y H2 O;Air;dr
1 1 Y H2 O;Air;moi Y H2 O;Air;moi
D C (4.9)
%Air;moi 1:293 0:8038
In accordance with the mass balance, the flue gas flow comprises the air flow and
the fuel flow, unless a portion of the ash does not fly with the flue gas flow but is
deposited in the hopper, etc.
In fluidized bed furnaces, a bed material flow and an additive flow can be added
to the flue gas flow and these two must also be taken into account in the energy
balance equations in the following sections; on the other hand, hopper ash flows or
ash discharge from the bed must be removed under certain circumstances.
The flue gas composition can be derived from Eq. (4.3), from the excess air and
the fly ash, etc., or referred to in Brandt (1999a).
Adiabatic combustion temperature denotes the flue gas temperature that would
occur during combustion without heat transfer to the combustion chamber walls, i.e.,
the total heat released by the combustion is converted into an increase in temperature
of the exhaust gases up to the “adiabatic combustion temperature.”
The following energy balance (Fig. 4.1) applies (based on the simplifying
P Fuel burns), with Hucompl as the (lower) heating
assumption that all of the fuel flow m
326 4 Simulation of firing and gas flow
Fig. 4.1 Energy and mass balance for the calculation of the adiabatic combustion temperature
P Fgas D m
m P Fuel C m
P Air (4.11)
and the specific amounts of air and flue gas Air D nAir Air;st and Fgas D 1 C Air ,
Eq. (4.10) is simplified to the following:
P Fuel Hucompl C m
m P Fuel 1 C nAir Air;st cpFgas #Fgas;ad
P Fuel nAir Air;st cpAir #Air D m
(4.12)
Since m P Fuel can be reduced, we can see that the adiabatic combustion temperature
#Fgas;ad in ı C is independent of the fuel flow
and is only dependent on Hucompl and Air;st (which are fuel properties), on the
excess air nAir , and on the combustion air temperature #Air in ı C.
If the calorific value Hocompl is used instead of the heating value Hucompl , this must
be correspondingly addressed in the spec. heat capacity of the flue gases cpFgas —
in this case the capacity must also contain the heat of condensation of the water
vapor—and of course the same is also true of the spec. heat capacity of the air cpAir .
Only in this way do we obtain the same adiabatic combustion temperature.
Table 4.2 contains some reference values of the adiabatic combustion tempera-
ture for several fossil fuels at normal excess air values and normal air temperatures.
The adiabatic combustion temperature is also an approximate value for the
maximum combustion chamber temperatures, so it is a useful control value for CFD
calculations.
4.2 Simplified Combustion Chamber Models 327
m Evap hEvap,out
mFuel Hucompl
(mFuel +mAir ) cpFgas Fgas
mAir cpAir Air
ABk
TFgas 4 4
QStr=aStr Str AFur (TFgas -TWa)
TWa
m Evap hEvap,inl
Fig. 4.2 Energy balance of the combustion chamber and combustion chamber walls
328 4 Simulation of firing and gas flow
The left-hand side of Eq. (4.14) is known from Sect. 4.1.3 and proportional to the
adiabatic combustion temperature #Fgas;ad in ı C.
4 4
.m
P Fuel C m
P Air / cpFgas #Fgas;ad D arad rad AFur T Fgas TWa C
(4.15)
.m
P Fuel C m
P Air / cpFgas #Fgas
P Fuel C m
m P Air D m
P Fgas (4.16)
4
and after dividing Eq. (4.15) by TFgas;ad and subsequent conversion, we obtain
1
P Fgas cpFgas .TFgas;ad TFgas /
m 4
D arad rad AFur
TFgas;ad
" 4 4 # (4.17)
T Fgas TWa
TFgas;ad TFgas;ad
4 4
4
Since TWa TFgas;ad applies in general and the term TWa =TFgas;ad is therefore
4
negligibly small compared to T Fgas =TFgas;ad , the equation (4.17) (based on the
assumption that for the average temperature
p
T Fgas D TFgas;ad TFgas (4.18)
There are other possible solutions for Eq. (4.17), which are not more accurate, but
are somewhat less elegant. The “trick” and the elegance in this solution of course
lie in the choice of the average value between the adiabatic combustion temperature
and combustion chamber temperature, i.e., the square root of the product—and thus
the reduction of a 4th order equation to one of the 2nd order.
4.2 Simplified Combustion Chamber Models 329
The heat radiated by the combustion chamber gases and absorbed by the
combustion chamber walls (which are generally switched to act as an evaporator) is
used to heat the evaporator mass flow.
The following additional energy balance therefore applies for the combustion
chamber walls:
4
P str D arad rad AFur T Fgas
Q 4
TWa Dm
P Evap hEvap;out hEvap;inl (4.21)
We can efficiently estimate the furnace outlet temperature and the total heat flow
transferred in the furnace by means of the Konakow model described in Sect. 4.2.1
and used, for instance, by Berndt (1984), Klug (1984), Heitmüller (1987), Dymek
(1991), or Rohse (1995) in their dynamic simulations. However, with the Konakow
model we cannot calculate a heat flow density profile over the furnace height.
When we examine the example of the distribution of the heat flow density in the
combustion chamber of a steam generator (shown in Fig. 4.3), we can very clearly
see the uneven distribution over the furnace height. In order to be able to convert
the transferred heat flow (determined by means of the Konakow model) into a heat
flow density profile, the distributions of the heat flow density are required—and
generally even for different load cases. If such a heat flow density profile is not
available, we can use a relationship (for furnaces with low-lying burners) described
by Doležal (1990) to convert the total heat emitted in the furnace into local heat flow
density. The equation by Doležal is, however, disadvantageous in that the constants
which characterize the burner assembly greatly influence the position of the heating
maxima. According to Riemenschneider (1988), the correct ascertainment of the
integral heat supply is of greater significance for the steam generator dynamics than
the correct ascertainment of the profile of the heat flow density over the height of
the combustion chamber.
In the case of the flame- and radiation zone model, the combustion chamber
is subdivided into two sections, the flame and the radiation zone, as shown in
Fig. 4.4. This approach is based on the zone model by Hottel and Sarofin. In the
conceptual model, primary heat exchange with the flame wall takes place via flame
radiation—the heat exchange in the radiation zone, however, occurs exclusively
via gas radiation. On the basis of these assumptions, we obtain differing average
temperatures and heat flows in the two zones—and this in itself is an approximate
consideration of the heat flow density profile as drawn in Fig. 4.3. If we examine the
heat flows in Fig. 4.4, we can see that no back-radiation from the radiation zone into
the flame zone occurs. This leads to a decoupling of the calculation of both zones.
Qrad,RaZmFgas,hRaZ,out
QWa,RaZ
Radiation zone
mFgas,rec ,hFgas,rec
In the radiation zone the heat exchange is dominated by gas and particle radiation.
In contrast to the zones models, the furnace outlet temperature and the heat flow
density in the steam generator’s furnace do not have to be determined iteratively.
One further model requirement for the flame zone is the assumption that the flame
completely fills the flame zone and that the fuel introduced into the steam generator
is fully burned at the radiation zone inlet.
Flame Zone
Figure 4.4 illustrates the heat, mass and enthalpy flows fed into and removed
from the flame zone—in the form required for the calculation of the flame zone.
The modeling of the combustion chamber of the steam generator is based on the
assumption that k different fuels can be introduced into the furnace at the same time.
Both the fuel introduced into the combustion chamber with a heating value Hui and
the combustion air may have experienced preheating. This leads to an increase of
hAir in the specific enthalpy of the combustion air and an increase in the spec.
enthalpy of the respective fuel by hFuel;i to hAir or hFuel;i .
The theoretical spec. enthalpy of the adiabatic combustion results from the heat
flows fed to the flame zone as follows:
P
QP FlaZ;inl
hFlaZ;inl D
P Fgas
m
P
k (4.22)
P Air hAir C m
m P Fgas;rec hFgas;rec C P Fuel;i .Hui C hFuel;i /
m
iD1
D
P Fgas
m
1.00
0.90 Coal
Heating oil
0.80
[-]
Blast-furnace gas
Fla
0.70
Emissivity 0.60
0.50
0.40
0.30
0.20
0 1 2 3 4 5 6 7 8
Layer thickness Seq [m]
The calculation of the emissivity of the flame "Fla can be performed using the
emissivity values of Schuhmacher and Waldman (1972), for instance. These values
are illustrated in Fig. 4.5 as a function of layer thickness.
Wochinz (1992) has used 2nd order polynomials to approximate the curves given
by Schuhmacher and Waldman in order to make them accessible to a numerical
procedural method. Wochinz gives us the following relationships for the individual
fuel groups:
"Fla D 0:365 C 0:12125 0:008125 Seq Seq for coal (4.23)
"Fla D 0:45 C 0:10375 0:006875 Seq Seq for heating oil (4.24)
"Fla D 0:22 C 0:06667 0:003332 Seq Seq for blast-furnace gas (4.25)
VFlaZ
Seq D 3:4 (4.26)
AO;FlaZ C AFlaZ;out
P
k
"Fla;i m
P Fuel;i
iD1
"Fla;wei D (4.29)
P
k
P Fuel;i
m
iD1
For the entire flame zone, the average emissivity results from
1
"FlaZ D (4.30)
1 AO;Fla 1
C 1
"Fla;wei AO;FlaZ C AFlaZ;out "Wa
where the emissivity for the wall of the furnace is "Wa . Jahns and Schinkel (1979)
state that "Wa lies within the range of 0.6–0.9 in a raw brown coal dust-fired steam
generator combustion chamber.
In the case of the flame-radiation zone model, the assumption was made that the
flame surface AO;Fla is equal to the sum of the flame zone wall surface AO;FlaZ and
the cross-sectional area between the flame zone and the radiation zone AFlaZ;out . The
wall surface of the flame zone AO;FlaZ is calculated by means of
X
j
AO;FlaZ D AO;Wa;i i (4.31)
iD1
where AO;Wa;i is the ith flame zone wall surface and i is the valency associated
with the flame zone wall surface. The valency of the radiant heating surface can
be determined according to Brandt (1995). For example—it is equal to 1 for a
membrane wall heated on one side.
334 4 Simulation of firing and gas flow
The valency of a plain tube wall heated on one side is calculated by means of
p p
a2 1 arctan a2 1
single D 1 (4.32)
a
where the parameter a D t=da . If an adiathermal reflective wall is behind the tube
wall, we obtain the total irradiating number for the smooth tube compl as follows:
2p p 32
2 a2 1 arctan a2 1
compl D 1 1 single D 1 4 5 (4.33)
a
The average emissivity "FlaZ can now be calculated on the basis of the assump-
tions made above, in the same way as for infinitely large and flat parallel surfaces:
1
"FlaZ D (4.34)
1 1
C 1
"NFla "Wa
where the Stefan–Boltzmann constant is rad D 5:67051 W/m2 K4 and the spec.
enthalpy at the flame zone outlet is
Lawrenz et al. (1978) state that the fouling factor ffo for, e.g., coal dust firing is
0.55, while 0.7 is the factor given by Doležal (1961). For liquid fuels and solid fuels
on grate furnaces, the fouling factor ffo lies between 0.9 and 1, whereby the lower
value should be used for oil with a large fraction of sodium in the ash. ffo D 1 should
be used for gaseous fuels.
Due to the implicit nature of Eq. (4.35), the flue gas temperature at the flame zone
outlet must be determined iteratively with the help of the relationship (4.36).
4.2 Simplified Combustion Chamber Models 335
The heat flow Q P Wa;FlaZ to the tube wall in the flame zone is calculated as a
proportional fraction of the total heat flow available in the flame zone.
P Wa;FlaZ D m AO;FlaZ
Q P Fgas .hFlaZ;inl hFlaZ;out / (4.37)
AO;FlaZ C AFlaZ;out
The heat flow QP FlaZ;out dissipated from the flame zone into the radiation zone can
thus be specified by the following simple relationship:
P rad;FlaZ D m
Q P Wa;FlaZ
P Fgas .hFlaZ;inl hFlaZ;out / Q (4.38)
Radiation Zone
Figure 4.4 illustrates the heat, mass, and enthalpy flows fed into and removed from
the radiation zone—in the form we require for calculating the radiation zone within
the context of the conceptual model.
With the spec. enthalpy of the flue gas exiting the flame zone and the proportion
of the heat flow of the flame radiation Q P rad;FlaZ absorbed by the gas, we can
determine a fictitious spec. enthalpy hRaZ;inl of the flue gas entering the radiation
zone:
P rad;FlaZ "Fgas
Q
hRaZ;inl D C hFlaZ;out (4.39)
mP Fgas
Both CO2 and H2 O occur in the combustion gas emitted from steam generators.
The total emissivity of the flue gas is thus calculated as the sum of the individual
emissivity of the flue gas components, determined under the respective partial
pressure.
The total emissivity is smaller than the sum of the two individual emissivities.
This is due to the fact that some of the emission bands of CO2 and H2 O overlap (see
Günther (1974)). Hottel and Egbert (1942) determined the band overlap correction
"Fgas (to be added to Eq. (4.40)) and illustrated it in diagrams. The total emissivity
of the flue gas is thus obtained as follows:
The average isothermal flue gas temperature T Fgas for the radiation zone—
calculated from the arithmetic mean of the flame zone and the radiation zone outlet
temperatures—is given by:
#FlaZ;out C #RaZ;out
T Fgas D 273:15 C (4.43)
2
In contrast to the emissivity, the absorptance is not only dependent on total
pressure, partial pressure, layer thickness, and the gas temperature, but also on the
surface temperature of the combustion chamber wall. Since gases are not gray body
emitters, the absorptance arad —except in the limiting case T Fgas D TWa;RaZ —does
not match the emissivity "Fgas . Hottel and Egbert (1942) (see also Hottel and Sarofim
(1967)) determined the absorptance for CO2 and H2 O and linked them with the
emissivity "CO2 or "H2 O by means of equations.
In order to determine the radiation zone outlet temperature #RaZ;out , we balance
the heat flows fed into and removed from the radiation zone as shown in Fig. 4.4—
in this case, the total heat transferred to the wall from the gas body in the radiation
zone of the combustion chamber is first used for the two partial radiation heat flows
4.2 Simplified Combustion Chamber Models 337
P rad;RaZ and Q
Q P Wa;RaZ (which are unknown):
P compl;RaZ D ˛rad AO;RaZ #FlaZ;out C #RaZ;out
Q #Wa;RaZ (4.44)
2
Substitution of the spec. enthalpy at the radiation zone outlet in the energy
balance by hRaZ;out D cp Fgas #RaZ;out and its subsequent conversion gives us—in
explicit form—the desired outlet temperature in the radiation zone:
A O;RaZ
hRaZ;inl ˛rad .0:5 #FlaZ;out #Wa;RaZ /
mP Fgas
#RaZ;out D (4.45)
A O;RaZ
cp Fgas C ˛rad
2m P Fgas
Now, knowing the radiation zone outlet temperature, we can determine the partial
radiation heat flows QP rad;RaZ and Q
P Wa;RaZ as the sum of the proportions of the total
radiation heat of the gas released in the radiation zone and the heat directly radiated
into the zone from the flame
P rad;RaZ D m ARaZ;out
Q P Fgas .hRaZ;inl hRaZ;out /
AO;RaZ (4.46)
C 1 "Fgas Fij Q P rad;FlaZ
and
P Wa;RaZ D m ARaZ;out
Q P Fgas .hRaZ;inl hRaZ;out / 1
AO;RaZ (4.47)
C 1 "Fgas 1 Fij Q P rad;FlaZ
where Fij is the view factor between two radiative, finite surfaces.
The view factor, which is required for the calculation of the radiation exchange
between two surfaces, describes the influence of the position and of the orientation
between these surfaces. Figure 4.6 shows the radiation zones of two typical types of
boilers and the necessary surface configurations for the determination of the view
factor Fij .
The following specifies the view factors Fij for the combustion chambers
sketched in Fig. 4.6. The illustrations in Fig. 4.7a and b show the dimensions which
are required in the relationships (4.48) and (4.50) for determining the view factor.
Siegel et al. (1991a) state that the view factor Fij between two identical, parallel,
opposite-facing rectangles (Fig. 4.7)—as required, for, e.g., the tower boiler—can
338 4 Simulation of firing and gas flow
A2 A2
Radiation
zone
Radiation
zone
Flame zone A1
Flame zone A1
Fig. 4.6 Schematic representation of the radiation zone of different types of boilers and their
assigned surface configurations for radiation exchange
H
B
A2 A2 H1
T H
T T2
A1
B1 T1
A1 B
Fig. 4.7 Examples of form factors for radiation exchange. (a) Two identical, parallel, opposite-
facing rectangular surfaces (tower boiler). (b) Two mutually perpendicular rectangular surfaces in
a general position (2-pass boiler)
be calculated by means of
(
12
2 .1 C a2 /.1 C b2 / p b
Fij D ln C b 1 C a2 arctan p C
ab 1 C a2 C b2 1 C a2
)
p a
a 1 C b2 arctan a arctan a b arctan b (4.48)
1 C b2
T B
aD and b D (4.49)
H H
4.3 Modeling and Simulating of Furnaces 339
According to Chekhovskii et al. (1979), the view factor Fij is calculated for two
mutually perpendicular rectangular surfaces in a general position (e.g., the tube
screen wall of a 2-pass boiler) can be calculated using the following relationship:
c1 c2 c3 C c4
Fij D (4.50)
2 .T2 T1 / .B B1 /
where
"
T2 T1 T T2
ci D ai T2 arctan T1 arctan .T T2 / arctan C
ai ai ai
#
8 h 2 2
i9
a2i < ai C T1 ai C .T T2 / =
2 2
T T1
.T T1 / arctan C ln h i
ai 4 : a2 C T 2 a2 C .T T1 /2 ;
i 2 i
" #
b2i H12 C b2i C B2 H 2 C b2i C B21
ln 2 (4.51)
4 H1 C b2i C B21 H 2 C b2i C B2
and
b1 D T1 ; b2 D T2 ;
b3 D T T1 ; b4 D T T2 (4.53)
In the relevant literature, larger sets of view factors for selected geometric
arrangements can be found like in, e.g., Siegel et al. (1991a), Siegel and Howell
(1992), Modest (2003), or Vortmeyer and Kabelac (2006b).
Volatiles Volatiles
C, H, O
N, S
CFix CFix CFix
SiO2 , Al2O
3
Ash Na2O, Fe2O Ash
3
SO3
at room temperature. Figure 4.8 shows the composition of the solid fuel based on its
proximate analysis (DIN 51718; DIN 51719; and DIN 51720). This in effect means
that the fuel consists of a proportion of fixed carbon, various hydrocarbons, water,
non-combustible components (ash), and impurities (such as N, S, and Cl).
Various subprocesses occur during the heating and combustion of this fuel. It
is first subjected to a drying process, during which the water is expelled. Then
hydrocarbons and other impurities are released into the gas phase. The remaining
solid fuel is subsequently burned heterogeneously. The gases resulting from the fuel
are burned homogeneously. Each of these subprocesses and their modeling will be
discussed below.
Please refer to Sects. 4.3.4 and 4.3.5 for more information on combustion in
fluidized beds and grates.
Drying
The drying process is mainly influenced by the bonding of moisture at the solid.
A generally solid fuel consists of a pore system, the hollow spaces of which can
be filled with capillary liquid, depending on the material moisture. This liquid
can be transported to the surface as a result of capillary forces. This fuel now
becomes material to be dried and here we distinguish between hygroscopic and non-
hygroscopic materials. In a non-hygroscopic material, the moisture is completely
bonded to the surface. Non-hygroscopic materials are characterized by the fact that
their moisture can be entirely eliminated by physicomechanical means. In the case
of hygroscopic materials, the equilibrium partial pressure is affected by both the
temperature and the moisture in the material. The partial vapor pressure at the
evaporation surface lies below the saturation pressure. The moisture present in the
4.3 Modeling and Simulating of Furnaces 341
pore system is bonded to the solid by capillary, sorption, and valence forces. The
ratio of the steam pressure to the saturated-steam pressure is described as a function
of the material moisture at constant temperature by means of sorption isotherms.
These curves must be determined experimentally for each material to be dried.
Examples of these sorption isotherms for wood are shown in Fig. 4.9. In the case
of fuel moisture, we fundamentally distinguish between free and bound moisture.
Free moisture occurs in fuels with a completely wetting film of water and also in
capillary-porous materials, where no capillary forces arise because of large pores
or thick water films. In this case, the steam pressure at the liquid surface is equal
to the saturated-steam pressure. When the free moisture has completely evaporated,
the liquid also increasingly disappears in the interspaces. As a result of increasing
surface tension, the influence of the capillary forces on the liquid becomes so great
that it is bound to the fuel. During the drying of the fuel, enthalpy of bonding hBind
must also be expended, in addition to enthalpy of evaporation r. For wood, the
curve of the enthalpy of bonding as a function of the material moisture is shown
in Fig. 4.10.
The curve of the drying process is divided into three phases (see Fig. 4.11). In the
1st phase, pure surface drying takes place, making the process of drying independent
of the fuel properties. Based on the capillary action of the pores, the surface is
supplied with water and thereby kept constantly wetted with a closed liquid film.
The kinetics of the drying process is thus determined by the heat and mass transfer
mechanisms on the outer surface.
The start of the 2nd phase is characterized by an abrupt inflection point in the
curve of the drying rate. The moisture content at this inflection point is referred
to as the inflection point moisture content—it must be determined experimentally.
Fig. 4.9 Sorption isotherms for wood (Krischer and Kast 1978)
342 4 Simulation of firing and gas flow
1500
b
a
500
0
0 0.04 0.08 0.12 0.16 0.20 0.24
Wood moisture content [kg/kg]
Fig. 4.10 Curve of the enthalpy of bonding for wood (Krischer and Kast 1978)
st rd
1 phase 2ndphase 3 phase
Drying rate w dry
Kn,I Kn,II
Time
rd st
2ndphase
mat
3 phase 1 phase
Material temperature
Drying rate w dry
mat
wdry
mat
0 Material moisture
mat,hygrosc mat,Kn,II mat,Kn,I
content mat
Fig. 4.11 Drying rate: Drying curve dependent on time (above) and material moisture content
(below) (Krischer and Kast 1978)
From this point, complete wetting of the surface with a film of water does not exist.
After falling below the inflection point moisture content, the drying rate decreases
continuously and runs asymptotically to the equilibrium moisture content. After
falling below the equilibrium moisture content, the heat transport processes are not
rate-controlling due to the very low drying rate (Mersmann 1980). The decisive
factor here is moisture transport due to transient diffusion, in that the driving
4.3 Modeling and Simulating of Furnaces 343
gradient is the difference between the material moisture content and the equilibrium
moisture content.
The drying process is characterized by heat transfer, mass transfer, and diffusion
processes. The modeling approaches (Krischer and Kast 1978) to drying technology
are very complex; any further description and discussion of these is beyond the
scope of this chapter. This is why only feasible approaches to the field of combustion
technology are illustrated here.
Hot air
mAir = 28.44 kg/s
Air = 338 °C
Mill
Sealing air
mAir= 1.68 kg/s
Air = 40 °C
Fig. 4.12 Combined drying and pulverizing in a coal mill (numerical values given are only
examples)
344 4 Simulation of firing and gas flow
When simulations of individual burners or industrial furnaces are carried out, the
boundary conditions at the burner inlet are generally defined, i.e., after combined
drying and pulverizing. One common method is to describe the drying of the
pulverized coal using a residual moisture evaporation rate similar to that of the
pyrolysis rate.
In the case of reactive flows, a mutual interaction exists between the partial pro-
cesses of the flow and the chemical reaction. Here turbulent flows are characterized
by fluctuations in the transported quantities—in reactive flows, however, these
quantities can be instrumental in their chemical conversion.
To classify the problem, the so-called Damköhler number (Da I) is used, which
consists of the ratio of the number of chemically reacted moles to the number of
“downstream” (moles delivered by the flow at a later point in time).
With high Damköhler numbers, a rapid chemical reaction takes place, so the
flow characteristics determine the chemical reaction.
In the case of low Damköhler numbers, the chemical reaction rate is rate-
controlling, so the relevance of the flow characteristics for the chemical reaction
takes a back seat.
In conjunction with the reaction rate constants kRea and the molar concentration
c, the reaction order n gives us information about the chronological progress of the
chemical reaction. The following relationship applies:
@c1
D kRea cn11 cn22 cn33 : : : (4.54)
@
The temporal change of c1 corresponds to the reaction rate of the species and is
given in abbreviated form as per Eq. (4.55):
Y
RP vol;1 D kRea cni i (4.55)
i
The reaction rate constant kRea and the product of the relationship of the
stoichiometric coefficients can be combined into the constant aRea . This leads
4.3 Modeling and Simulating of Furnaces 345
to (4.58) as follows:
Y
RP vol;1 D aRea cn1i D aRea c˙n
1
i
D aRea cn1 (4.58)
i
Zc1 Z1
dc1
D aRea d (4.60)
c1
c10 0
After integration, the relationship given in Eq. (4.61) can be derived for the
concentration c1 as follows:
A first order reaction like this exists in char oxidization, for instance (provided
that char is available in sufficient quantity), since the concentration of oxygen
is limiting for conversion to carbon monoxide during the burn-out process under
furnace conditions.
Here the derivation of a relationship for the reaction rate constant kRea is carried
out by means of an Arrhenius equation that contains the frequency factor k0;1 and
the activation energy E:
kRea D k0;1 exp E=.< T/ (4.62)
Several regular formulas can be used to determine the reaction rates of individual
species—and this enables a relationship between the individual reaction rates of the
species involved in the reaction to be derived with the help of the extent of reaction
Rlz based on Eq. (4.63):
X
Nn
l;i D 0 (4.64)
iD1
346 4 Simulation of firing and gas flow
If the reaction rates are known, each species involved in the reaction can be
determined by means of a transport equation. If we wish to reduce the number of
transport equations, we can use the Shvab–Zeldovich formulation if the number of
species involved Nn is greater than the number of reaction equations L.
Linearly independent linear combinations can therefore be specified by Gaussian
elimination (Nn L) (Zinser 1985). This means that a transport equation does not
have to be solved for each species within the framework of the model—when using
the formalism described as the Shvab–Zeldovich formulation, only L species are
determined by means of transport equations.
A conceptual model of the flow of pulverized coal combustion is illustrated in
Fig. 4.13. The raw coal particle is subject to pyrolysis (Reaction 1, Eq. (4.65)), where
the ash is first regarded as an inert substance during model development.
A special chapter of the book is devoted to the modeling of the ash transformation
processes.
In the model, the volatiles are released in the form of carbon monoxide,
hydrogen, and hydrocarbons.
In a heterogeneous reaction (which is dependent on the local concentration of
oxygen that occurs at the surface of the char), the remaining char is oxidized into
CO as an intermediate product (Reaction 2, Eq. (4.66)). Methane (CH4 ) is used as
an representative for the hydrocarbons. In a two-step reaction, the released volatiles
are oxidized via CO into CO2 and H2 O (Reaction 3, Eq. (4.67) and Reaction 4,
Eq. (4.68)).
Ash Ash
Energy Char
Ash
Raw coal O2
CO CO2
Energy CXH Y
H 22O
Volatiles
The relevant reaction steps are specified in Eqs. (4.65) to (4.68). Here the variable
NP is the number of particle size classes in question and RC is the raw coal.
k1 X
NP
j1;RC j RC ! 1;Cj Cj C 1;CH4 CH4 C 1;CO CO C 1;H2 O H2 O (4.65)
jD1
X
NP
ˇ ˇ k2;j
ˇ2;C ˇ Cj C j2;O j O2 ! 2;CO CO (4.66)
j 2
jD1
k3
j3;CH4 j CH4 C j3;O2 j O2
! 3;CO CO C 3;H2 O H2 O (4.67)
k4
j4;CO j CO C j4;O2 j O2
! 4;CO2 CO2 (4.68)
Pyrolysis
the pyrolysis gas are also present in the form of their hydrogen compounds NH3 ,
H2 S, HCN, HCl, and HF (Bilitewski et al. 1985).
Modeling Pyrolysis
The characteristics of the pyrolysis process of pulverized coal particles are depen-
dent on the temperature and the heating rate. At a heating rate of 10 K/s, a lower
volatile content is released than is the case in the relationships of swirling pulverized
coal flames with typical values of 104 105 K/s. The duration of pyrolysis in
pulverized coal furnaces amounts to around 100 ms and roughly 1 to 2 s for typical
particle burn-out.
There are a number of models with varying complexity, such as the pyrolysis
model with two parallel reactions of (Kobayashi et al. 1976), which distinguishes
between low and high-temperature pyrolysis zones, or the model of the functional
groups of (Solomon et al. 1986). Other more complex pyrolysis models, like the
multi-step model by Reidelbach and Algermissen (1981), lead to the solution of a
stiff differential equation system. In a practical application with models like this,
the difficulty lies in the fact that the model parameters are generally not available
for the coals used. One commonly used approach is based on the 1-step pyrolysis
model of (Badzioch and Hawksley 1970):
X
NP
cP VM D k1;0 exp E1 =.< TP;j / &1;VM YRC (4.69)
jD1
Particle temperature TP;j also occurs and this can be modeled on the basis of
the balancing of reaction heat being released and heat conduction in the particle
boundary layer; volatile content &1;VM is yet another variable.
Numerous modeling approaches of varying complexity exist for the modeling
of the pyrolysis of coal. A pyrolysis model based on the representation of coal by
functional groups was presented by Gavalas et al. (1981). The model propagated
by Solomon FG-DVC (Serio et al. 1987, 1989; Solomon et al. 1988; Zhao et al.
1994, 1996), the FLASH CHAIN model by Niksa (1991; 1994; 1995; 1996), and
the CPD model by Fletcher (1989; 1990; 1992) are all highly detailed. The FG-DVC
(Serio et al. 1998) and the FLASH CHAIN model (Niksa 2000) were expanded to
describe the pyrolysis of biomass. Extensive coal-specific datasets (which had to be
determined experimentally) were originally required in order to use these models.
Interpolation methods were then proposed to derive the data from the ultimate
analysis. The individual models were compared with one other and published by
Kellerhoff (1999), Rummer (1999), and Solomon et al. (1993).
A series of kinetic approaches have been published, comprising Arrhenius
approaches of the nth order (see Anthony and Howard (1976), Kobayashi et al.
(1976), Badzioch and Hawksley (1970)), several independent parallel reactions
(Nsakala et al. 1977), numerous competing reactions (Kobayashi et al. 1976), and
4.3 Modeling and Simulating of Furnaces 349
multiple reactions of the 1st order with distributed activation energy. Ultimately,
an approach by Jüntgen and van Heek (1970) found widespread acceptance for the
case that mass loss is of principal interest—and this approach is now mostly used for
CFD applications. It is based on a series of overlapping, parallel reactions of the 1st
order. This can be approximated by a single expression of the 1st order, which has
both the lower activation energy and the lower pre-exponential. We can therefore
write this as follows:
YVM D k1;0 exp E1 = .< TP / 1;VM YRC (4.70)
If we were to enter the values specified in Table 4.4 graphically, we could easily
conclude that the Badzioch values are a very good representation of the midfield.
These values were ultimately used by several authors (e.g., Müller (1992), Epple
(1993)) for the simulation of pulverized coal furnaces (Fig. 4.14).
Char Burn-Out
In comparison to the faster pyrolysis, the burning of the coal particle represents
the rate-controlling step. Here the influences on reaction conversion are specified
by the chemical reaction and diffusion through the pores and the boundary layer.
The Arrhenius diagram (Fig. 4.15) illustrates these subprocesses, which are rate-
controlling for the burn-out reaction in different temperature ranges.
At low temperatures, the oxygen diffuses into the finely branched pore system
sufficiently quickly, resulting in a limitation of the chemical reaction. If the
temperature rises above 750 ı C (Günther 1974), the chemical conversion rate is
higher and depletion of the oxygen molecules in the pore structure occurs. As a
result of this, oxygen molecule transport resulting from diffusion into the particle
interior is rate-controlling. At even higher temperatures (greater than 900 ı C),
carbon oxidation takes place almost exclusively at the outer char surface, since the
350 4 Simulation of firing and gas flow
Temperature
in °C
oxygen molecules cannot diffuse sufficiently into the pore structure. As a result,
the diffusion of oxygen through the boundary layer surrounding the char particle is
rate-controlling.
The overall rate of the char burn-out can be specified by means of Eq. (4.71). The
index j corresponds to the actual particle size class:
The partial pressure of the oxygen pO2 ;1 is determined by weighting the oxygen
concentration (determined by a transport equation) and the physical total pressure.
The determination of the effective reaction rate coefficient k2;eff and the specific
surface area of the deflagrating particle AP;spec;Charj is described in the following
sections.
4.3 Modeling and Simulating of Furnaces 351
Pore
diffusion
~ 900 °C ~ 750 °C
Here the frequency factor k2;Char;0 and the related activation energy E2 =< have
the values given in Table 4.5.
The diffusive rate is addressed by Eq. (4.73):
48 DO2
k2;ph D 105 (4.73)
< dP;j Tg
The diffusion coefficient DO2 occurring in Eq. (4.73) is determined in Eq. (4.74).
This coefficient is a function of the boundary layer temperature Tbl , which is
determined from the arithmetic mean of the particle temperature and the gas-phase
The effective reaction rate can now be determined as per Eq. (4.76) by means of
the partial processes described above, with the chemical and physical rates given in
Eqs. (4.73) and (4.74). In general form, this is as follows:
k2;eff nc
k2;eff D k2;Char pO2 ;bl1 (4.76)
k2;ph
In general, the reaction rate must be determined numerically as per Eq. (4.76),
but relationships can be analytically derived for the cases given in Table 4.5.
Equation (4.76) can be converted into the form of Eq. (4.77) for the case given in
Table 4.5 (a reaction order of one).
1
k2;eff D pO ;bl1 (4.77)
1=k2;ph C 1=k2;chem 2
In the case of brown coal, the reaction order has a value of 0.5 in Table 4.5. Here
k2;eff can be determined analytically by squaring. This leads to (4.78):
v !
u 2
u k2;chem 2
1 k2;chem
k2;eff D t C 4 k2;chem pO2 ;bl1 (4.78)
k2;ph 2 k2;ph
Since the oxidation process causes a decrease in mass of the particle, its specific
particle surface also changes and this is defined by Eq. (4.79), in which the particle
surface AP is related to the mass of the mixture mMix :
AP
AP;spec D (4.79)
mMix
AP;spec AP dP2
D D (4.80)
YP YP mMix P 6 dP3
4.3 Modeling and Simulating of Furnaces 353
6 YP
AP;spec D (4.81)
P dP
1
P D (4.82)
YRC YChar YAsh
C C
RC Char Ash
The average particle density, which can be calculated with Eq. (4.82), consists
of the components raw coal, char, and ash and is related to the particle volume.
We must now determine a relationship for the course of burn-out, or the change in
the particle diameter during the char burn-out. To do this, we use the principle of
the “Shadow Method,” which was originally introduced by Spalding (1982). Here
the actual local fuel concentration is based on a shadow concentration, which is
the fictitious concentration of the fuel. This concentration would occur if the fuel—
without reacting—were present under otherwise unchanged conditions of transport
in the flow field. The shadow concentration is determined from the product of the
degree of mixing and the initial concentration of the fuel. In this way, we can define
the burn-out value BCA for char and ash:
The local solids concentration in Eq. (4.83) is based on the concentration in the
inlet (index 0) multiplied by the degree of mixing fMix . The fraction of residual char
(in the raw coal) reduced by the volatiles content is addressed by the stoichiometric
coefficient 1;Char . Since char is not yet present in the inlet, its concentration does not
occur in the denominator of Eq. (4.83). The procedure for raw coal (RC) is similar
to this, where the value mCoal;loss of the total mass loss of coal is as per Eq. (4.84).
The following relationship applies for the relationship of the particle surface AP
of the reacting particles and of the original surface AP;0 :
AP
D .1 mCoal;loss /n (4.85)
AP;0
If we set the exponent n in Eq. (4.85) to zero, the diameter of the particle remains
unchanged. This would correspond to a practical example where the particle is
hollowed out at its core, as can be the case for very small particles (Zinser 1985).
At a value of one, the decrease is linear. The change in the particle surface during
the various stages of the combustion process is shown in Fig. 4.16 for a value of
354 4 Simulation of firing and gas flow
A Part
A Part,0 Pyrolysis
1.0 Char burn-out
0.8
0.6 nB = 2/3
0.4
0.2
0.0
0.0 0.5 BC 1.0
Fig. 4.16 Change in the grain surface during the combustion process
n = 2/3. We now want to find a relationship for the surface of the particle AP;spec
related to the mass of the mixture.
On the basis of Eq. (4.79), the relationship Eq. (4.86) results from the relationship
of the current value AP;spec and the original value AP;spec;0 , using the approach of
Eq. (4.85):
AP;spec AP
D D .1 mCoal;loss /n (4.86)
AP;spec;0 AP;0
If we use Eq. (4.81), we obtain the specific surface area for the fictitious case of
a non-reacting flow as per Eq. (4.87).
6
AP;spec;0 D .YRC;0 C YAsh;0 / fMix (4.87)
P;0 dP;0
Using the approach of Eqs. (4.86) and (4.87), we can determine a relationship for
the current particle surface AP;spec :
6
AP;spec D .YRC;0 C YAsh;0 / .1 BCA /n fMix (4.88)
P;0 dP;0
Taking into account the definition of mCoal;loss as per Eq. 4.84, Eq. (4.88) then
results in the following:
Since only the specific surface area of the char fraction is relevant for the
heterogeneous reaction, we must determine its specific surface area:
YChar YChar
AP;spec;Char D AP;spec D AP;spec (4.90)
YP YRC C YChar C YAsh
If we insert the relationship Eq. (4.89) into Eq. (4.90), then the total particle
concentration is no longer necessary, since the particle concentration consists of
the components raw coal, char, and ash—and this results in the calculation equation
for the specific reactive surface of the char fraction as per Eq. (4.91).
6 .1 BCA /n YChar
AP;spec;Char D (4.91)
P;0 dP;0 .1 mCoal;loss /
This equation can be used to determine the reaction rate of the char burn-out in
the relevant particle size class “j” using Eq. (4.71). Since this relationship occurs as a
source term for the char in the transport equation, its linearization is recommended.
Reaction zone
rate corresponds to the eddy dissipation rate of the unburned fuel-air mixture. The
conditions in a premixed flame are shown in Fig. 4.17.
In the combustion zone, the flow of the premixed flame contains eddies, which
consist of a still unburnt fuel-air mixture. No reaction occurs in these eddies due to
too-low temperatures. When these eddies dissipate, however, and mix with the hot
reaction products that surround them, they do evince a chemical reaction.
The degree of mixing represents a passive scalar quantity—its fluctuation
02
(gMix D fMix ) can be considered as being a measure of the eddy dissipation rate.
The transport equation to be solved here (with a parameter set as per Spalding (Cg1
= 2.7 and Cg2 = 1.787) (Spalding 1971)) is as follows:
@ @ @ eff @gMix
.%gMix / D %wj gMix
@ @xj @xj g @xj
(4.93)
@fMix 2 "
C Cg1 turb Cg2 % gMix
@xj k
A further model, which was used for diffusion flames and premixed flames, is
the Eddy Dissipation Model.
The conceptual model also uses the eddy transport approach. In the case of
diffusion flames, the eddies intermittently contain fuel and air. If these eddies are
small enough, or if they have dissolved, then the chemical reaction of the reactants
subsequently occurs.
In the case of the Eddy Dissipation Model (see Magnussen and Hjertager (1976)
and Magnussen (1981)), the reciprocal relationship of turbulent kinetic energy k
and its dissipation " is used as a measure for the dissipation of the eddy. This is then
multiplied by the time-averaged concentration of the reacting species. The physical
unit of "=k is 1/s, with the result that a less turbulent time scale has a high reaction
conversion.
4.3 Modeling and Simulating of Furnaces 357
Magnussen and Hjertager (1976) state that the constants CEDC1 and CEDC2 have
values of 4.0 and 2.0, respectively. In more recent studies, see, e.g., Visser (1991),
values of 0.5 to 0.7 were used for CEDC1 (rather than 4.0) and this produced results
which were actually closer to the measurement results.
The oxidation of CO only takes place in coexistence with water vapor or with
the resulting OH radicals (Warnatz 1979). This is why we add a further variable,
in addition to the usual three terms of the eddy dissipation concept. According to
Kozlov (1958) and Dryer and Glassman (1972) this added variable is specified in
Eq. (4.96).
0:5
0:25
12 4;CO2 0:75 Y H2 O Y O2 20130
cP CO2 ;kin D 2:24 10 Y CO % exp
4;CO MH2 O MO2 T
(4.96)
The advanced eddy dissipation concept thus results in the following Eq. (4.97):
Y CO Y O2 CEDC2 k "
cP CO2 ;4 D min ; ; cP CO2 ; cP CO2 ;kin CEDC1
4;CO 4;O2 CEDC1 " CEDC1 k
(4.97)
When using Eq. (4.97), it should be borne in mind that at the beginning of the
simulation, the field values of the CO2 concentration must have the value zero. The
data fields should therefore be initialized with a finite value.
In the 1970s of the last century, it was recognized that oxides of nitrogen formed
during the combustion of fossil fuels must be regarded as a contributory cause of
environmental damage—and forest decline was attributed to these oxides in the
1980s. The nitrogen oxides produced during combustion initially consist of more
than 95 % nitrogen monoxide NO; the remainder is nitrogen dioxide NO2 and
358 4 Simulation of firing and gas flow
Thermal NO Formation
Basically, the formation of NO can take place through a reaction of molecular aerial
nitrogen or fuel-bound nitrogen. NO formation based on the thermal NO formation
mechanism becomes significant at temperatures above 1800 K, since a dissociation
of aerial nitrogen molecules is then possible.
4.3 Modeling and Simulating of Furnaces 359
kRea1
O C N2
)
*
NO C N (4.98)
kRea1
and
kRea2
N C O2 )
*
NO C O (4.99)
kRea2
Here the first reaction step is rate-controlling, since the stable nitrogen molecule
with its triple bond (binding energy of 941 kJ/kmol (Hayhurst and Vince 1980))
must be split at an activation energy of 314 kJ/mol (de Soete 1981). If we use
the Arrhenius approach for the reaction rate k1 , we obtain a very high activation
temperature of around 700 K. This makes it clear that thermal NO formation is
exponentially dependent on the flame temperature and only linearly dependent on
the oxygen concentration. Here the residence time in the zone of highest temperature
is a crucial factor in thermal NO formation—so in practice, we find that it is usually
the interaction between turbulence and chemical reaction that is of key importance
for the amount of thermally formed NO emissions. This is demonstrated by the fact
that even at a temperature variation of 20 % above average and the resulting short-
term peak temperature, thermal NO formation increases by 15 times (Koopman
1985). These temperature fluctuations have an effect on the change in oxygen
concentrations, since the equilibrium constant of the O2 dissociation reaction is also
heavily dependent on the temperature.
K3
*
O2 ) 2O (4.100)
p
cO D K3 cO2 (4.101)
The molar NO rate of formation based on the reactions (Eqs. (4.98) and (4.99))
can be specified as follows:
d cNO 2 kRea1 cO cN2 1 c2NO = K1:2 cN2 cO2
D (4.102)
d 1 C .kRea1 cNO =kRea2 cO2 /
with kRea1 as per Eq. (4.112). The relationship for the equilibrium constant is
kRea1 kRea2
K1:2 D (4.103)
kRea1 kRea2
360 4 Simulation of firing and gas flow
K1:2
N2 C O2 ) * 2 NO (4.104)
The relationship for the determination of the molar NO rate of formation can be
simplified under the assumption that the NO concentration is negligible (cNO D 0)
either initially or when far below the current equilibrium conditions and that the
oxygen concentration is very much greater than the concentration of NO (cO2
d cNO
D 2 kRea1 cO cN2 (4.105)
d
The oxidation of atomic nitrogen by OH radicals becomes significant at high
temperatures and where a high water content exists. The reaction step as per
Eq. (4.106) is thus an alternative reaction to that of Eq. (4.99).
kRea4
N C OH )
*
NO C H (4.106)
kRea4
kRea5
H C O2 ) *
OH C O (4.107)
The reagents required for the formation reaction of the thermal NO are predom-
inantly radicals, which are only formed during burn-out of the combustion gases.
The procedure of the thermal NO formation is therefore primarily expected to occur
after the actual conversion of the fuel in the zone of hot combustion gases.
Gas flame models with very different levels of complexity are used for modeling the
formation of nitrogen oxides. Here the simplest case begins with the application of
simplified relationships as per Eq. (4.105), under the assumption that the instan-
taneous value of the NO formation corresponds to the expected value. A much
more complex case is the realization of complete, forward, and reverse reaction
rate-dependent velocities as per Eqs. (4.105) and (4.108), addressing the turbulent
fluctuations in the determination of the time-averaged rate of reaction.
The following provides a brief overview of possible modeling approaches.
4.3 Modeling and Simulating of Furnaces 361
where cO2 in mol/cm3. In the following pages, a model will be presented, one
that has proven itself both in the prediction of NOx emissions in single burners
in the pilot-plant scale (Schnell 1990) and in a variety of large combustion plants
(Epple 1993).
The equation for determining the NO formation rate is given in Eq. (4.102).
Equation (4.102) can be simplified into Eq. (4.105), for the above reasons. With
the oxygen atom concentration as per Eq. (4.111) and the forward reaction rate
362 4 Simulation of firing and gas flow
coefficient of the reaction (Eq. (4.98)) according to Fenimore and Fraenkel (1980),
we obtain:
14 cm3
kRea1 D 1:8 10 expŒ38370 K=T (4.112)
mol s
Now we obtain the expected value of the NO mass source using a probability
density function of the temperature:
ZTmax
MNO 3
RP vol NO;th D 2 kRea1 cO cN2 10 P.T/ expŒ38370 K=T dT (4.113)
Tmin
And if we use Eq. (4.111) to determine the oxygen atom concentration and the
relationships as per Eq. (4.112), we obtain:
ZTmax
p MNO
RP vol NO;th D 1:8 1012 cO2 cN2 P.T/ expŒ68070 K=T dT (4.114)
Tmin
Here the oxygen and nitrogen concentrations have the physical unit [mol/cm3],
which can be determined from the mass concentrations as follows:
YO Mix 103 YN Mix 103 mol
c O2 D 2 respectively cN2 D 2 (4.115)
MO2 MN2 cm3
The temperatures Tmin and Tmax occurring in Eqs. (4.113) and (4.114) can be
restricted by the application in question. The temperature Tmin can correspond to
the respective inlet value of the fluid (which has not yet reacted). The temperature
Tmax is limited by the adiabatic combustion temperature. An estimate can be carried
out in that the total converted reaction enthalpy is transferred to the exhaust gas
in the form of perceptible heat during the adiabatic combustion of a stoichiometric
mixture. We thus obtain the adiabatic flame temperature from the heating value
of the fuel Hu, the minimum air requirements nAir;min , and the average spec. heat
capacity of the exhaust gases cp :
Hu
Tad D (4.116)
.1 C nAir;min /cp
Prompt NO Mechanism
C2 C N2 ! 2 CN (4.117)
CH C N2 ! HCN C N (4.118)
HCN C H $ CN C H2 (4.120)
The products of the reactions (Eqs. (4.118)) and (4.119)) are indistinguishable
from one another due to the reaction (Eq. (4.119)).
NH C OH $ N C H2 O (4.121)
The atomic nitrogen created by the reactions (Eqs. (4.118) and (4.121)) can be
converted to NO through the 2nd step of the Zeldovich mechanism.
Prompt NO formation is only slightly dependent on the temperature. During the
combustion of fuels in which fuel-bound nitrogen is present, prompt NO formation
in hot, lean flames is of minor importance from a quantitative point of view.
Fenimore and Fraenkel (1980) also discovered only a small fraction of prompt NO
in methane flames. The resulting hydrocarbon radicals are more likely to reduce
already-formed NO. This reaction step (see Fig. 4.19) is referred to as a “NO recycle
step,” which will be covered later in this book. It is generally assumed that—
quantitatively speaking—prompt NO formation is more or less insignificant in coal
dust flames. Hayhurst and Vince (1980), for example, had already shown in 1980
that the prompt NO mechanism contributes less than 5 % of the total emission in
a pulverized coal flame with 1 % fuel-nitrogen and a 50 % degree of conversion to
NO.
364 4 Simulation of firing and gas flow
Fuel-NO Formation
In the combustion of solid fuels, more than 80 % of NO emissions are caused by the
fuel-NO formation mechanism. The background of this mechanism will therefore be
given special attention in the following pages. The prerequisite here is that a certain
fraction of the nitrogen is organically bound in the fuel. And this is the case in nearly
all solid fuels, as shown in Table 4.6. Solid fuels like coal, peat, and agricultural
waste products contain nitrogen to the order of 1 %, while wood, paper and plastic
waste products contain much less nitrogen. The nitrogen content of trees is around
1 %, with the highest proportion present in leaves and needles. In wood bark, the
proportion is 0.3–0.5 % and in the core of the tree trunk the nitrogen content lies
below 0.1 %.
Ultimately, however, we cannot deduce the amount of NO emissions produced
during combustion from the amount of fuel-nitrogen content. Several factors are
decisively involved here, e.g., how quickly the fuel-nitrogen can be released during
combustion. And the way the nitrogen is bound to the fuel plays a major role in
this case as well. Figure 4.18 shows an example of how nitrogen is bound into the
structure of the coal.
The amount of NO emissions produced during combustion is not necessarily
dependent on the amount of fuel-nitrogen content, rather on the proportion that is
converted to NO. If, for example, the total nitrogen content is converted to NO
during the combustion of high-volatile hard coal with a nitrogen content of 1.5 %
(daf), NO emissions of 4500 mg/m3 would be created (normally 6 % O2 ). In fact, the
conversion rates of fuel-nitrogen to NO typically range from about 15 to 30 %. One
initial step that is crucial for the formation of NO or its primary side reduction is the
release of N or the distribution of N in volatiles and in residual char. Once a particle
starts to burn, some of the nitrogen is released together with the volatiles, while
the remaining nitrogen remains in the char. This relationship is shown in Fig. 4.19,
using the example of a solid fuel.
Fig. 4.18 Model describing the structure of coal (Smoot et al. 1985a)
The fuel particle passes into a combustion chamber, where it is heated through
convection and radiation. Typical heating rates lie between 104 and 105 K/s. In the
first step, pyrolysis of the fuel particle occurs and this mainly releases hydrocarbon
compounds. During this pyrolysis, a proportion of the fuel-nitrogen is also released.
Mainly HCN or NHi compounds are ultimately formed by this process. If we
now use air staging as a primary measure for NO reduction, combustion will
initially take place with an air or oxygen deficiency. HCN can thus be converted
into molecular nitrogen. Another primary measure for NO reduction, but one
which is far less common in practice is “fuel staging.” This principle is also
shown in Fig. 4.19. Finally, hydrocarbon radicals (CHi ) are created by the staged
366 4 Simulation of firing and gas flow
cP VM MHCN
cP HCN;1 D cN;RC CN;VM (4.122)
cP VM;RC MN
The variable cP VM that occurs in Eq. (4.122) is the release rate of the volatiles
during the pyrolysis reaction. The constant corresponds to the nitrogen content of
the carbon, as is known through the ultimate analysis, for instance. Since only a
portion of the fuel-nitrogen is released in the form of HCN during pyrolysis (the
rest remains in the char particle), the factor is also included. This expresses the
dependence of the fuel-nitrogen content in the volatiles on the pyrolysis temperature
(here the dependence must be determined experimentally). Figure 4.20 shows such
a correlation—here it was found that practically all the carbon–nitrogen is released
by the pyrolysis process at pyrolysis temperatures of 1800 K.
In addition to the predominant amount of nitrogen released by pyrolysis, we
must also address the amount of nitrogen that remains in the residual char. Here
we assume that this proportion decreases along with the rate of the char burn-out
and is also released in the form of HCN. The rate of release of the residual nitrogen
368 4 Simulation of firing and gas flow
20
Char
0
100
80
0
500 700 900 1100 1300 1500
Pyrolysis temperature [°C]
X
NC
cN;RC MHCN
cP HCN;2 D cP Cj .1 CN;VM / (4.123)
jD1
1 cVM;RC MN
Conversion of HCN to NO
In the case of turbulent, reacting flows, the fluctuation values can be particularly
crucial for the chemical conversion process. Here the fluctuation ranges of the
temperature and of the variables involved in the chemical reaction are of particular
importance. Since highly non-linear functional relationships exist between these
variables, we use the principle of the probability density function—referred to
in the relevant literature as Probability Density Functions (PDF). If we disregard
the density and pressure fluctuations, we can set up a PDF linked between the
temperature T and the reactants c1 and c2 . Here a similar problem occurs to that
found in the turbulence
modeling of the Reynolds stresses, since higher-order
0 0
moments c1 c2 ;etc: also arise in this case.
In the case of NO formation, the influence of the fluctuations of the species
(which occur in low concentrations during HCN conversion) is of minor importance
compared to the relevance of the temperature fluctuations and can therefore be
disregarded as per (Gouldin 1974). The method is thus reduced to determining
a probability density function P.T/ for the temperature. Once this is known
(Sect. 4.3.2), we can specify the conversion rate.
4.3 Modeling and Simulating of Furnaces 369
The total fuel-NO model has already been illustrated in Fig. 4.19. De Soete (1974)
states that the reaction pathway of HCN via NCO and NH is not velocity-
controlling. The modeling of the NO formation from HCN therefore takes place
in accordance with the global reaction as per Eq. (4.124).
kRea6
j6;HCN j YHCN Cj6;O2 j YO2 ! j6;NO j YNO Cj6;CO j YO Cj6;H2 O j YH2 O (4.124)
ZTmax
RP vf HCN;6 D 10 10
RP vf HCN xbO2 P.T/ expŒ33700 K=TdT (4.125)
Tmin
Mg
xO2 D YO2 .1 YP /1 (4.126)
MO2
Wendt (1980) states that the course of the curve (as illustrated in Fig. 4.21)
applies for the reaction order b. The molar variable xO2 is calculated by conversion
from the mass concentration cO2 , taking the sum of all solid concentrations into
account as per Eq. (4.125).
Another possible reaction path (in addition to oxidation reaction) is the possibil-
ity that already-formed NO can be reduced by released HCN (Eq. (4.127)).
k7
j7;HCN j YHCN C j7;NO j YNO ! j7;N2 j YN2 C j7;CO j YCO C j7;H2 O j YH2 O (4.127)
An equation for determining the reaction rate of this reduction mechanism can be
specified with the values of the reaction velocity (Eq. (4.128)) according to De Soete
(1974).
ZTmax
Mg
RP vf HCN;7 D 3 1012 RP vf HCN YNO P.T/ exp Œ33700 K=T dT
.1 YP /MNO
Tmin
(4.128)
In the NOx model shown in Fig. 4.19, NH3 occurs as an intermediate species
and the reburning reaction occurs, caused by the attack of the CHi radicals. The
370 4 Simulation of firing and gas flow
1.0
0.8
Reaction order b
0.6
0.4
0.2
0.0
-7 -6 -5 -4 -3 -2 -1 0
In xO2
Fig. 4.21 Correlation between reaction order b and molar 02 concentration [kmol/kmol] (De Soete
1974)
corresponding kinetic model data can be found in detail in Mitchell and McLean
(1982).
The model for determining fuel-NO formation—as used for the 3D simulation of
industrial-scale pulverized coal furnaces—is thus fully described.
The sketched global model of NO formation was published in Epple (1993).
More global NO formation models related to pulverized coal combustion have been
published in Fiveland and Wessel (1991), Lockwood and Romo-Millares (1992),
Coimbra et al. (1994), Williams et al. (1994), Visona and Stanmore (1996), and
Peters and Weber (1997).
In the previous section, the term P appears in some equation terms; this term
represents the probability density function which is covered in this section.
In turbulent flows, the fluctuations in the transported quantities can be described
by the fluctuations of a conservative scalar. This conservative scalar corresponds to
the degree of mixing, which is solved by a source term-free transport equation. The
squared value of the fluctuation of the degree of mixing is described as gMix , which
is determined by the transport equation. This enables fluctuations to be estimated for
other variables, such as the fluctuation range of the temperature. For the temperature,
4.3 Modeling and Simulating of Furnaces 371
T C T T C T (4.129)
The fluctuation range is estimated using the fluctuation in the degree of mixing
gMix .
p
T D gMix T (4.130)
After the upper and lower temperature range and its average value have been
determined, we must now establish a relationship between the variables. In the
simplest approach, we assume that the temperature profile only reaches the upper or
lower temperature value periodically. This leads to a square fluctuation, referred to
as a “SQUARE WAVE” (SQW) function. It was suggested by Spalding and applied
in Gosman and Lockwood (1973), Lockwood and Shah (1976), Smith et al. (1980).
The time course of the temperature thus described is illustrated in Fig. 4.22. The
probability density function which corresponds to Fig. 4.22 can be described by
Dirac delta functions ı:
If we now assume that in the temporal average the upper and lower extreme exist
over the same time period, the fractions have an equal weighting (see (4.133)):
Hu
Tad D (4.134)
.1 nAir;min / cp
The lower temperature limit represents the inlet temperature. Tmax and Tmin are
thus specified by Eq. (4.135).
If the calculated temperature To now exceeds the limiting value Tmax , the fractions
of the probability density function are weighted with the help of Eq. (4.136).
T Tu
P2 .T/ D I P1 .T/ D 1 P2 .T/ (4.136)
Tmax Tu
If the temperature Tu falls below the realistic minimum value Tmin , the relation-
ships presented in Eq. (4.137) are used.
T Tmin
P2 .T/ D I P1 .T/ D 1 P2 .T/ (4.137)
To Tmin
ZTo
kRea 0 expŒE=.< T/ P.T/ dT D
Tu
To Tmax I Tu Tmin
use of delta functions on the boundaries of the distribution. The function combined
in this way is described as a “Clipped Gaussian Distribution” (CGD).
Another form of the probability density function is the “ˇ function,” which
provides an even better match with measured values (Jones 1977). It was originally
propagated by Richardson et al. (1952). This function (Eq. (4.139)) eliminates the
necessary boundaries limitation involving delta functions. The ˇ function can be
specified as:
a1 .1 /b1
P./ D 01 (4.139)
R1
a1 .1 /d
0
The coefficients a and b appearing therein are determined as per Eq. (4.140).
" #
.1 / .1 /
aD 1 I bD a (4.140)
02
If we apply this function to the temperature, the variables which occur therein
must be normalized:
T Tmin 02 T 02
T D I T D (4.141)
Tmax Tmin .Tmax Tmin /2
The following covers the modeling of sulfur binding in furnaces. The possibility for
this “in-situ” desulfurization is mainly found in fluidized bed furnaces. During the
combustion process, the release of the sulfur occurs by means of devolatilization and
residual char burn-out—the location and rate of the release can be described through
the modeling of the release of volatiles and the modeling of char combustion. For
the simulation of sulfur release (using a multicomponent model for devolatilization),
374 4 Simulation of firing and gas flow
we select a sulfur carrier (e.g., H2 S), which represents all the substances that are
released containing sulfur.
This reaction is dependent on the CO2 partial pressure in the gas phase. Hill
and Winter (1956) and Baker and Attar (1981)—both of whom are cited in Hansen
(1991)—state that the following apply for the equilibrium partial pressure in bar for
a temperature range of 975 < T < 1100 K:
(here vf. Fig. 4.25). In the case of 1123 K, the equilibrium partial pressure
as per the above formula 0:48 bar. Assuming that this would correspond to
a proportion of 15 Vol-% CO2 —combustion of hard coal with an air excess
nAir D 1:2—calcination would come to a standstill at a total pressure of around
3.2 bar in the furnace. Accordingly, direct absorption of sulfur dioxide takes place
3
Partial pressure [bar]
CaCO3
2
CaO
0
900 1000 1100 1200 1300
Temperature [K]
Fig. 4.25 Equilibrium partial pressure of CO2 in dependence on the temperature (cf. (Hill and
Winter 1956) and (Baker and Attar 1981))
376 4 Simulation of firing and gas flow
If dolomite (CaCO3 MgCO3 ) is used as a sorbent, both the limestone and the
magnesium carbonate will calcinate under atmospheric conditions:
The resulting magnesium oxide does not, however, form a stable compound
with SO2 —and this is why it does not contribute to desulfurization of the flue gas.
However, the CO2 release of the magnesium carbonate increases the porosity of
the sorbent—and this may have a favorable effect on the subsequent sulfation. In
this case, since the calcination of the MgCO3 also occurs with increased pressure,
“semi-calcined” dolomite is formed: MgO C CaCO3; .s/ C CO2 . This again increases
the internal porosity, which is often seen as being a prerequisite for SO2 absorption
(cf. (O’Neill et al. 1977), cited in Lisa (1992)). Dennis (1985) nevertheless showed
that direct reaction from CaCO3 to CaSO4 is possible.
The description of the physical/chemical behavior of the sorbent is a complex
task in the context of the simulation of circulating fluidized bed furnaces, because
many factors which influence one another must be taken into account.
The most important effect which inhibits the absorption of SO2 is “pore
blocking”; which occurs because of the higher molar volume of CaSO4 as opposed
to CaCO3 . It follows that the CaO contained in the particle does not fully react
to CaSO4 ; on the contrary, depending on the limestone type, the achievable final
conversions lie at approximately 16
52 %, but in very unfavorable circumstances,
this can sink to around 6 %.
1000 0.4
Reaction rate constant [1/s]
500 0.2
0.1
0 0
0 0.5 1 1.5 2 0 0.5 1 1.5 2
Sorbent diameter [mm] Sorbent diameter [mm]
Fig. 4.26 Dependence of the reaction rate constant and final conversion on the particle diameter,
according to (Fee et al. 1983)
to be deposited is also reduced, as are the losses due to the enthalpy of the removed
ash mass flow.
or
Sulfation as per Eq. (4.142) takes place under oxidizing conditions, while
decomposition occurs as per the reactions in Eqs. (4.148) and (4.149), but under O2
deficiency. Lyngfelt and Leckner (1989) concluded that in the fluidized bed reactor
SO2 was bound to and (apart from combustion itself) released again from the bed
material, depending on whether oxidizing or reducing conditions prevailed. For the
measurable emission of SO2 over 880 ı C, the reaction as per Eq. (4.148) is of course
responsible. The resulting reduced CaO is much more reactive than that which is still
unused, but already under a CaSO4 layer.
378 4 Simulation of firing and gas flow
O2
CaSO 4 CaS
CO CO2
CaO
SO2 SO2
CO2 CO
Hansen et al. (1993) et alia examined the effects of the changing conditions
(oxidizing/reducing) as they occur in CFBC plants by means of solids recirculation.
Figure 4.27 illustrates a qualitative description of gas/solids conversions. It is
interesting that we cannot read off Eq. (4.149) in this diagram, because (as per
Hansen et al. (1993)) it is a net reaction, the two partial reactions of which take
place via CaO as an intermediate product.
Hansen et al. (1993) determined that particularly in the case of a small sorbent
particle diameter, CaS can be formed in the reducing zone of the CFB system and
that this is oxidized in the riser to CaO with accompanying SO2 formation. Since
the oxidation of CaO takes place more rapidly than sulfation, this may result in
an increase in SO2 concentration at the end of the furnace. However, this SO2 can
no longer be reduced because of the low solids concentration there. A study of 14
European types of limestone showed that the change from oxidizing to reducing
conditions and vice versa slightly decreased the final conversion of the limestone. A
fundamental change in ranking, however, did not take place, except for the limestone
types with a high Fe2 O3 content.
The separation behavior of the coarse ash separator and the cyclone also has a major
influence on the degree of efficiency of desulfurization. It is true that the use of
sorbent with a very small particle diameter would be favorable with respect to the
achievable final conversion, but sorbent slip through the cyclone has the effect of
reducing the residence time of the fraction in the furnace, causing unused limestone
to exit the reactor. Wu et al. (1993) examined the level of sorbent utilization in
coarse and fly ash and in the recirculation pass for two limestone and fuel types in
4.3 Modeling and Simulating of Furnaces 379
a CFB pilot plant (0.91 m inner diameter, 18.3 m height). In the case of the first
limestone (Meckley Fine), there was a relatively high level of sorbent utilization in
the coarse ash when bituminous coal (fat coal) was used—this high level was caused
by the long residence time of the coarse material in the bed zone of the combustion
chamber.
This is due to the low ash content of bituminous coal (cf. left-hand side of
Fig. 4.28). In the case of anthracite on the other hand (cf. right-hand side of
Fig. 4.28), the sorbent in the fly ash has the highest level of utilization, while that in
the coarse ash has the lowest level. In general, the final conversions are lower than
in the case of bituminous coal and this is due to the lower sulfur content. The high
ash content of the anthracite causes the sorbent in the coarse ash and in the feedback
path to have less final conversions than the sorbent in the fly ash. This is because the
fine content of the ash causes a greater entry load and thus effects a better degree
of separation in the cyclone. Figure 4.29 shows the relationships with limestone 2
“New Enterprise Medium.”
60
50
Level of sorbent utilization [%]
Fly ash
Recirculation pass
40
Combustion bed ash
Fly ash
30
20
10
0
Fig. 4.28 Conversion of “Mickley Fine” limestone in combustion bed ash and fly ash and also in
the recirculated solid, according to Wu et al. (1993)
380 4 Simulation of firing and gas flow
Recirculation pass
40
Fly ash
Recirculation pass
30
10
Fig. 4.29 Conversion of “New Enterprise Media” limestone in combustion bed ash and fly ash
and also in the recirculated solid, according to Wu et al. (1993)
The tendency is basically the same, except that the fly ash now evinces a much
higher conversion rate than in the case of the first type. Wu et al. (1993) attribute
this to the fact that the limestone 2 originally had hardly any fine fractions—so the
existing particulate matter must have been caused by abrasion from other fractions.
Its boundary zone has already been further converted, in accordance with the idea
that sulfation proceeds from the outside inwards.
Thus we come to the last important point that greatly influences sorbent behavior.
To this end, Couturier et al. (1993) carried out a study of eight types of Canadian
limestone. Fragmentation was found to occur after the introduction of the sorbent
into the test reactor—especially during the initial phase which in this case was
within the first five minutes. With test gas containing SO2 , fragmentation behavior
was less pronounced than when test gas without SO2 was added.
Couturier et alia attributed this to the fact that the formation of CaSO4 in calcined
particles results in resolidification. The main parameters that affect fragmentation
behavior are therefore:
4.3 Modeling and Simulating of Furnaces 381
• thermal shock,
• the process of calcination and sulfation,
• the flow rate (fluidizing and secondary air), and
• collisions of particles with one another and with the furnace walls.
The degree of contamination of the particles increases their resistance against
fragmentation processes.
Lyngfelt and Leckner (1992) distinguished between two extreme cases of
mechanical sorbent behavior:
In case 1, the fragmentation processes largely take place immediately after
introduction into the furnace, so that the main part of the sorbent in the inventory
material is not subject to any further size reduction. The fraction-based residence
time
nCa
rt D (4.150)
nP Rest C nP consu
thus actually corresponds to the “average age” of the sorbent particles that are
just leaving the system again.
Case 2 is based on an age-independent decrease in diameter of the limestone
particles, so the above equation no longer expresses the correct age of the particles
in the furnace. In contrast, the fraction-related residence time
nCa;.i/
intr;i D (4.151)
nP Lime; .i/ C nP fuel; .i/ C nP sup; .i/
or
nCa;.i/
intr;i D (4.152)
nP Rest; .i/ C nP consu; .i/ C nP ab; .i/
only gives us the “correct” age for those particles that have already attained their
final size. In the above relationships, nCa;.i/ is the molar mass of Ca of the fraction
size i in the fluidized bed, nP ab; .i/ is the molar mass removed through the reduction
of the particle size i into smaller particles, nP sup; .i/ is the added molar mass caused
by the reduction in particle size of the larger particles, nP consu; .i/ is the molar mass
removed with the spent bed material, nP Rest; .i/ is the remaining (residual) molar mass
of the fraction i, nP fuel; .i/ is the molar mass added to the fraction size i with the fuel,
and nP Lime; .i/ is the molar mass of the fraction size i introduced with the limestone.
Lyngfelt and Leckner (1992) concluded that the fraction-related residence time
is, on the one hand, a measure of the probability with which a particle of a certain
size remains in the system, but that, on the other hand, the actual age of the fraction
in question is not represented correctly. In case 2, the fraction-related residence time
for modeling the time-dependent sulfation rate is less suitable than in case 1.
To describe the abrasive processes on limestone, Lee et al. (1993a) proposed an
abrasion model of the 1st order with respect to the existing abradable material:
dmSorb
D kab; Sorb .mSorb mSorb; min / (4.153)
d
382 4 Simulation of firing and gas flow
Here mSorb; min is the minimum mass of sorbent in the bed zone below which
noticeable abrasion no longer occurs. EAct; Sorb is a pseudo-activation energy and—
like the frequency factor ko; ab; Sorb —it specifically pertains to the material under-
lying the abrasion process. Sorb is the proportion of energy transferred from the
fluidizing gas to the particles in the furnace:
According to Lee et al. (1993b), the dominant abrasion process is that which
arises through collisions of the mother particles with one another. The experiments
showed that with increasing temperature the resistance of the material against
abrasion processes also increased, apart from the cracking of the limestone matrix
caused by the strongly growing pressure (due to the evaporation of trapped water).
The overview provided illustrates the complexity of the relationships pertaining
to desulfurization in fluidized bed systems. Due to the very different behaviors of
different types of limestone and the many influencing factors, it is therefore not
possible—even after intensive efforts—to assess the individual limestone by its
physical/chemical properties in order to ascertain its sulfation behavior (see Adánez
et al. (1994)). To model desulfurization behavior, we must therefore determine
model-dependent, reaction-kinetic parameters for the used limestone. The creation
of a comprehensive sorbent database which uses the existing data in the relevant
literature would be desirable, simply because of the amount of remarkably intensive
experimental effort required to determine the sulfation behavior of the various types
of limestone.
The following describes some single particle reaction models taken from the
relevant literature—the models are representative of the numerous approaches that
have been developed for describing the sulfation process. The structure shown in
Fig. 4.30 illustrates an approximate classification of the listed models.
4.3 Modeling and Simulating of Furnaces 383
Sulfation models
BP
2x
Fig. 4.31 Modeling the single pore according to Dennis and Hayhurst (1986)
Pore Models
very large in comparison to the pore size 2x—this is why reaction only takes place at
the two parallel surfaces. Through the occurrence of the sulfation reaction, the pore
becomes increasingly wedge-shaped due to the formation of the CaSO4 product
layer; here the layer thicknesses •lay;1 and •lay;2 describe the particle’s reduction
in porosity. Figure 4.31 shows the special point in time at which sulfation is just
starting at the inner end of the pore. A solid layer lay is assigned to each pore—in
the pores the SO2 concentration is only dependent on the length lPor and there are
no concentration gradients in the x direction.
The rate of reaction is influenced by pore diffusion, diffusion through the CaSO4
product layer, and by the surface reaction at the CaSO4 /CaO phase boundary layer.
The entire gaseous sulfur exists in the form of SO2 —CaSO4 is only created after the
reaction:
The concentration of SO2 at the pore entrance corresponds to that in the main
gas flow. All processes are regarded as being quasi-stationary. It is worth noting that
this is an analytical model with the two equations
1 "P;0 0 0:25
Ksulf D 3 P1 5 P02 0:25 (4.156)
24 cSO2 ;Por VCaO
for describing the time-dependent specific reaction rate and the conversion rate
p
./ D P1 P2 0:75 (4.157)
For this calculation, we require the particle diameter dP , the diffusion coefficient
of SO2 in the CaSO4 product layer, the initial porosity "P;0 , and the SO2 concentra-
tion cSO2 ;Por at the pore entrance.
∆ l Por
Daniell and Kono (1987)
dP
n sections
l Por
rPor lay
When the pore radius rPor at the pore entrance attains zero, the sulfation reaction
comes to a standstill.
• the chemical reaction is irreversible and of the 1st order with respect to SO2 ,
• isothermal conditions prevail,
• external mass transfer resistances are disregarded,
• the solid layer of the pore is non-porous and the reaction takes place only on a
fully formed phase boundary surface.
According to Ramachandran and Smith (1977), we obtain the following local
reaction rate for a differential, cylindrical pore volume element:
2 x cSO2 ;Por
RP SO2 D (4.158)
rPor;0 C •lay;2
ln
1 rPor;0 •lay;1
C
kSulf ; RS .rPor;0 C •lay;2 / Deff
The most important parameters in this model are the pore radius rPor , the pore
length lPor , the thickness of each pore’s solid layer lay , the effective diffusion
coefficient Deff , and the reaction rate constant kSulf ; RS .
Grain/Micrograin Models
rGra
rmGra
rP
and
drGra;part DSO2 S rGra;curr cSO2 ;Por
D (4.160)
d %mol;CaO .1 "mGra;0 /.1 /rGra;part .rGra;curr rGra;part /
The most important parameters for the calculation are the diffusion coefficient
of SO2 in the CaSO4 layer DSO2 , the SO2 concentration in the pore cSO2 ;Por , the
radius of the sorbent particle rP , of the grain rGra and of the micrograin rmGra , the
boundary conversion max , (from which the micropores are blocked), and the initial
micrograin porosity "mGra;0 .
Semi-Empirical Models
The reaction rate constant kvol and the model parameter asulf must be determined
from sulfation experiments. We obtain the following for the dependence of the
reaction on time:
d Vmol;CaO 1
D kvol exp.asulf / 1 feff (4.162)
d 1 "P;0;CaO
In addition to the two model parameters kvol and asulf , model 1 as per Couturier
(1986) also requires values for the effective diffusion coefficient of SO2 in the pores
Deff ;SO2 —however, this is not taken into account in the simplified model 2 (not
covered in detail here).
388 4 Simulation of firing and gas flow
Vonderbank et al. (1993) developed a model (explained below) for describing the
calcination and sulfation of the limestone particles used in the dry additive process
(TAV). The model addresses the mutual influence of calcination and sulfation
on limestone and calcium hydroxide. When modeling desulfurization processes,
the assumption is often made that sulfation is carried out independently from
calcination. This assumption is based on the fact that calcination itself takes place
very quickly at normal furnace temperatures. If lower furnace temperatures or a
high SO2 flue gas content exist, a sulfate layer may form—this increases diffusion
resistance, which counteracts the calcination process. It is for this very reason that
a complete or very rapid sulfation process should not be made a prior requirement
for the simulation of the dry additive process. One special feature of this model
is that a surface model that addresses the greater porosity of calcium hydroxide
(matching actual conditions) was developed for the product layer. The combination
of the rapid calcination of Ca(OH)2 and the large inner surface of the product layer
is the reason behind the better desulfurization of flue gas in furnaces, compared to
calcium carbonate.
For the description of this process, a shrinking core model (SCM) is used. It is
based on the assumption that the CaCO3 particle is substantially non-porous. In
consequence, the model assumption is that the CaCO3 is converted to CO2 from
the outside to the inside when CaO is released. If calcination takes place in an
atmosphere containing SO2 , a slightly porous product layer of CaO is formed on the
CaCO4 surface. On the one hand, this product layer hinders the further progress of
the calcination process, because the diffusion resistance in CaCO4 slows the release
of the CO2 —and, on the other hand, the further formation of CaCO4 at the CaO
surface is also slowed by the same diffusion resistance to SO2 in the CaCO4 .
Figure 4.35 illustrates the geometric assumptions for the calcination/sulfation
process. The rate of calcination greatly depends on the temperature and on the CO2
concentration at the reaction front. The following operations are important during
the calcination process itself:
• transfer of heat from the surrounding gas to the particle and heat conduction to
the reaction front,
• endothermic calcination reaction, and
4.3 Modeling and Simulating of Furnaces 389
rS2
• diffusive transport of CO2 from the reaction front to the particle surface and
transition into the surrounding gas.
drS1 MCaCO3
D (4.163)
d CaCO3
cCO2 ;S1 cCO2 ;g
2 2
1 .rS1 rS2 / rS1 4 lay;CaSO4 rS1 1 rS1
kRea;ca T;ca P;ca
C Deff rS2
C diff DSO2 AO
C ˇpor;g;ca rP2
where the molar mass MCaCO3 in kg/mol, the effective diffusion coefficient of
CO2 in the CaO layer is Deff , the CO2 concentration at the calcination layer is
cCO2 ;S1 , and the CO2 concentration in the gas phase is cCO2 ;g . Furthermore, as shown
in Fig. 4.35, rS1 in Eq. (4.163) expresses the radius of the unreacted CaCO3 core and
rS2 expresses the distance of the reaction front from the particle center point. This
radius is dependent on the degree of calcination ˛ca , which is given by the following
relationship:
As stated earlier, the emergence of the CaSO4 product layer is extremely important
for the progress of the overall process and it must therefore be taken into account
in the model. During the calcination process, porosity (and consequently the inner
surface) is increased due to the higher molar volume of CaCO3 compared to CaO.
During the course of sulfation, however, the level of porosity decreases due to the
higher molar volume of CaSO4 compared to CaCO3 and CaO. In this model, the
product layer surface is modeled as a function of the degrees of calcination and
sulfation, but without addressing the details of the particle structure as described
390 4 Simulation of firing and gas flow
in the previous models. The surface of the product layer consists of a portion for
the surface of a spherical shell as per the SCM (term 1) and a portion for the inner
surface AO;in;ca;spec as per the uniform conversion model (UCM) (term 2).
The above relationship is valid as long as ˛ca 0:59; for values where ˛ca
0:59, the following applies for the surface of the CaSO4 layer AO :
AO D 4 rP rS2 (4.166)
drS2 MCaO 1
D 2
(4.167)
d CaO 4 rS2
cCO2 ;S2 ra;sulf H2 O
1 1 1 lay;CaSO4 1 1
C C
ˇpor;g;sulf 4 rP2 diff DSO2 AO T;sulf kRea;sulf AO
„ ƒ‚ … „ ƒ‚ … „ ƒ‚ …
1 2 3
where diff is the correction factor for diffusion, T;sulf is the correction factor
for the temperature, and ra;sulf is the correction factor for the radius of the
sulfation. The correction factor H2 O addresses the catalytic effect of water vapor
concentration on the reaction rate.
The Ca(OH)2 model basically uses the same methodology as previously described.
During the calcination or sulfation of hydrated lime, the intermediates CaSO3 and
CaCO3 are created in the temperature range between 500 and 800 ı C.
4.3 Modeling and Simulating of Furnaces 391
For the hydrated lime sulfation model, the details of the CaCO3 sulfation process
are used—only the Ca(OH)2 surface model is replaced.
The relatively simple combined model has the same high degree of accuracy in
model computation as more complex models that also address the phenomena of
energy transport and pore structure.
The first experiments with fluidized solid beds were carried out in 1920 by Franz
Winkler in Germany, when he fed gaseous combustion products through a bed
of char particles. The first bubbling fluidized bed reactors for coal gasification
(Winkler gasifier) was constructed by Winkler. The circulating fluidized bed (CFB)
was studied in 1938 by W. Lewis and E. Gilliland at the MIT. The first typical
applications of the CFB were in process operations, such as the FCC process
Fluidized Catalytic Cracking, which was used for the production of high-octane
aviation gasoline during World War II. The first efforts to use the fluidized bed
as a combustion chamber are credited to D. Elliott, who advocated the use of this
combustion system in the early 1960s in England. The main focus of the time was
on reducing the size and cost of boiler installations, whereby they believed that good
heat transfer came from the heating surfaces immersed in the fluidized bed. In the
USA, the development of fluidized bed combustion was spurred on with the aim of
using coal with a high sulfur content, but without the need for any additional flue
gas desulfurization plants. These previously mentioned furnaces were all stationary
or bubbling fluidized beds. The development of the circulating fluidized bed for
furnace installation was pursued by several groups, each working independently.
The LURGI company, for example, used the CFB for calcination in aluminum
production—and 1982 the first CFB steam generator with an output of 84 MWth
was erected, based on LURGI’s application. In the above introductory section, a
distinction was made between bubbling and circulating fluidized beds. In the case
of bubbling fluidized beds, we select the gas velocity in such a way that the solid
is fluidized, but not carried out from the bed zone to any significant extent. The
bed surface and the freeboard zone above it remain distinguishable from one other.
In the case of circulating fluidized beds, however, the gas velocity is considerably
higher than the settling velocity of the average-diameter particles which make up the
inventory material. In this way, the solid material is distributed over the height of the
combustion chamber and most of it leaves the chamber together with the flue gas.
The gas/solid suspension enters a solids separator (usually a cyclone), where the
particles are separated and recycled to the combustion chamber via a return pipe.
Figure 4.36 illustrates that the fluidized bed can be operated in pressurized
form or at atmospheric pressure conditions—the pressurized combustion results
in a strong increase in performance, enabling the thermodynamically favorable
392 4 Simulation of firing and gas flow
Atmospheric Pressurized
60
10 20 30 40 50 60
15
1.5 7
combined cycle of gas and steam turbine; however, for technical/economic reasons,
this option is not being pursued.
The special properties of fluidized bed furnaces such as good heat and mass transfer
conditions and a high degree of flexibility in the usage of different fuels are of course
contingent upon the solids present in the combustion chamber. The possibilities
for describing the distribution of solids in fluidized bed systems will therefore be
discussed now in more detail. We can divide the riser of a fluidized bed reactor
into a dense phase zone (a zone in which there is a higher concentration of solids
near the air distributor plate) and an adjoining section with a lower concentration of
solids. This simplest of subdivisions is valid for broad ranges of fluidizing velocity,
apart from the extreme values of the dense bed (below the minimum fluidizing
velocity) and pneumatic transport with porosities $P 1 (at high gas velocities).
An appropriate representation of these assumptions can be found in Fig. 4.37.
In this zone, we can distinguish between two phases; one is the emulsion phase
(in which the uniform mixing of gas and solids takes place), while the other is the
solids-free bubble phase. The point in time when bubbles are formed depends on
the type of solid to be fluidized and on the fluidization medium. The behavior of
the bubble phase (max. bubble size, bubble velocity) can generally be described
in accordance with the assignment of the gas/solids mixture as per the Geldart
classification (Geldart 1986). Models have been developed which describe the
4.3 Modeling and Simulating of Furnaces 393
Height
mL Constant
concentration of solids
Freeboard-height TDH from H>TDH
Agglomerates
and
single particles Transition zone
TDH
Splash zone
Dense
Bubbles
zone
formation of the volume fraction of the bubble phase in relation to the volume
fraction of the emulsion phase. One of the first of these conceptual models was
that of (Davidson and Harrison 1963):
P Bu
Q
D w wmf (4.168)
A
This simple approach assumes that in the emulsion phase, the condition at the
fluidizing point (with a fluidizing porosity of $P;mf ) is always present. The excess
mass flow of the gas must be transported through the fluidized bed by means of the
bubble phase. Measurements have shown that the visible gas mass flow transported
in the bubble phase is lower than the mass flow calculated by means of Eq. (4.168),
because the layered bubble flow through gas is not addressed in the above model
concept.
Lean-Phase
After the dense zone, there follows a zone in which the concentration of solids
greatly decreases as the flow moves upwards. In addition to individual particles
which are discharged by the gas mass flow, we also find upward-moving particle
agglomerates created by the bursting of the bubbles and the bed surface (vf.
Fig. 4.38), clusters (particle agglomerates), and strands of solids that fall back into
the dense zone. Experimental observations have shown that these falling clusters
form particularly close to the wall and then extend, resulting in the development
of a boundary zone of falling particles. Figure 4.37 also shows that there is a
further characteristic height, which is important for the description of the vertical
394 4 Simulation of firing and gas flow
Discharge
distribution of solids. This is the transport disengaging height (TDH), from which
point the concentration of solids in the riser remains largely constant. Above the
TDH we find only those particles in the gas/solids mixture which can actually be
continuously transported by the gas flow—coarse fractions are also present in the
solids mass flow below the TDH and these, being subject to internal recirculation,
fall back into the dense zone before reaching the TDH.
Model Categories
Figure 4.39 shows a presentation by Tanner (1994) compiling the possibilities for
modeling the distribution of solids in fluidized bed systems. Tanner differentiates
between deterministic and stochastic models and between global and local models.
Deterministic models are those in which the temporal course of the variable(s)
to be determined is described by an equation or by a system of equations. In
stochastic processes, in which the temporal course of the state variables is random
and therefore cannot be described by mathematical equations, only temporal average
values can be calculated with deterministic models. Global deterministic models
are used to calculate the height-dependent distribution of solids—cross-sectional-
averaged concentrations are thereby determined. Supplementing Tanner’s 1994
presentation, a subdivision into 1- and 1.5-dimensional models was carried out
for the global models—and the latter considerably increase the possibilities for
the realistic modeling of fluid-bed systems. A 1.5-dimensional model consists of
an approach where the system’s sectional area is divided into a core zone and
a boundary zone, each with different concentrations of solids. Global stochastic
models are based on correlation equations, with the help of which we can determine
the statistical variables, average value, and variance of the axial distribution of
solids. The correlation equations are based on experimental studies of the pressure
4.3 Modeling and Simulating of Furnaces 395
Global models
(cross-section-averaged) Local models
-external circ.
solids mass flow
Fig. 4.39 Classification of models for describing the distribution of solids in fluidized beds
according to Tanner (Tanner 1994)
fluctuations in the riser. Local models are used where detailed analyses are required,
e.g., for mass transfer between the reacting particle and the surrounding gas, or when
the heat transfer conditions on sections of heat exchanger surfaces are to be studied.
Numerical Models
In the case of the Euler approach—or continuum method—the gas and solid
phases are regarded as being continua, existing one within the other. Each of the two
phases is represented by an equation of motion (two-fluid formulations). The great
advantage of the Euler method with respect to the simulation of the distribution
of solids in fluidized beds is that it can be used to solve practical problems.
Nonetheless, the Eulerian approach contains numerous parameters and these must
be determined with appropriate diligence.
In the 1970s Cundall (1971) and Cundall (1979) have developed the discrete element
method (DEM). The development of this model originally targeted problems in the
field of rock mechanics and granular media. About 20 years later, e.g., Tsuji et al.
(1993) used this approach to simulate various particle motions in fluidized beds.
According to Cundall and Hart (1992), the term discrete element method should
be applied to algorithms which, on the one hand, allow the finite displacements
and rotations of discrete bodies—including their complete separation from one
other—and, on the other hand, new contacts between the elements must also be
recognized. Model development using the DEM is based on the approximation
of the bulk material by means of suitable, geometrically describable bodies. In
many cases, even the simple spherical shape provides more realistic results than
continuum-mechanical approaches. The illustration of the mutual interaction at the
contact points, for example, takes place through elastic force-deformation laws—
and friction and damping effects can also be taken into account. The consideration
of other force effects is also possible—such as those based on Van der Waal’s forces
or cohesive effects. When the DEM is used, one resultant is determined from all
the forces acting on the particle. Using the resulting force, Newton’s equation of
motion is formulated for the particle (for the actual time step). By means of the
numerical integration of the equation of motion, the new position and the velocity
of the particle can then be determined if the time step selected is appropriately
short. After each time step, the boundary conditions must be checked, i.e., possible
new collisions of particles must be detected or existing contacts between particles
must be dissolved where required. By repeatedly executing this procedure, the time-
dependent distribution and motion of a particle system can be simulated. A detailed
description of the DEM can be found in Sect. 3.6. Please refer to Sect. 4.6 for
executed examples of the DEM method.
The numerical models described above are not suitable for use in overall simulation
programs, simply because they are too complex and therefore require too much
computation time. Semi-empirical models such as those by Kunii and Levenspiel
(1990) are, however, suitable for use in the overall simulation program and examples
4.3 Modeling and Simulating of Furnaces 397
of this model will now be explained in more detail below. If we wish to assign
the classification selected by Tanner (1994) (vf. Fig. 4.39) to the model of Kunii
and Levenspiel, we will have a global, deterministic model based on a cross-
sectional-averaged porosity. This cross-sectional-averaged porosity can be used as
a basis for a core/ring model, (see Glatzer (1994)) by means of which (based on
the cross-sectional surface) we can differentiate between a core zone in which
the solids move upwards and a boundary zone in which a downward movement
(internal recirculation movement) of the solids takes place. The basic assumption
of the model of Kunii and Levenspiel is based on the principle that we can divide
the riser into a dense bottom zone (with a constant concentration of solids) and
an adjoining zone above (with a decreasing concentration of solids—the model
actually applies to the higher zone). This is a semi-empirical model—meaning
that, on the one hand, the exponential decrease of the solids concentration and the
exponential approach derived from this decrease (both of which have been studied
in experimental installations and reactors) originate from the knowledge gained
from the experiments, but, on the other hand, the function itself is based on model
assumptions pertaining to the motion of the solids and transport mechanisms.
Figure 4.40 shows the global conceptual model for the model of Kunii and
Levenspiel. The following assumptions define the approach:
• Three phases exist in the free space of a fluidized bed:
Phase 1 consists of the gas flow and the finely distributed particles therein
(emulsion phase); solids of this phase are carried out of the bed zone and
transported away at a velocity of w1 .
Phase 2 consists of particle agglomerates, the entry of which into the freeboard
(free space) is caused by processes in the dense zone, e.g., bubble eruption at the
bed surface (vf. Fig. 4.38). These agglomerates move upwards through this zone
at a speed of w2 .
Phase 3 is formed when the particle agglomerates’ (from phase 2 and 3)
direction of movement changes—they then fall back at a velocity of w3 or form
a downward-flowing film on the walls of the reactor.
Splash
zone
398 4 Simulation of firing and gas flow
• Particles from phases 2 and 3 can enter phase 1; the intensity of the exchange
is then proportional to the concentration (volume fraction) of the particle
agglomerates.
• The upward-moving agglomerates can change their direction of movement
(transition to phase 3); the frequency of such events is determined by the volume
fraction of phase 2 in the relevant height section.
Figure 4.41 shows the above-described relationships between the three phases—
the two exchange coefficients K1;FB and K2;FB specify the intensity of the exchange
of solids between the three phases.
Based on these fundamentals, we can derive the following relationship for the
course of the concentration of solids above the freeboard height:
P P
D e.aKL .HHd // (4.169)
d P
It is important to note that these relationships only apply to reactors, the height
of which is greater than the transport disengaging height (TDH). We define TDH
as being the height at which the concentration of solids no longer changes in a
circulating fluidized bed reactor, i.e., no further internal deposition or recirculation
processes occur—the mass flow density of the solids carried above this height
is usually referred to as Gs . One crucial fact that we must note if using this
model for circulating fluidized bed systems or for experimental evaluation—neither
actually built CFB reactors nor most CFB pilot plants have riser heights that are
greater than the TDH. That is why this model contains the assumption that the
concentration of solids in systems with freeboard heights < TDH shifts towards
w1 w2
w3 H fr
γGk K1,FB γGk K1,FB
K 2,FB
Fig. 4.41 Dense zone and freeboard model according to Kunii and Levenspiel (1990)
4.3 Modeling and Simulating of Furnaces 399
Hfr
Hfr> TDH
Hfr< TDH
H fr< TDH
ρ -ρ
Any H fr React
Splash
zone 0
Bed
Fig. 4.42 Model for the solids distribution where reactor heights are less and greater than the TDH
according to Kunii and Levenspiel (1990)
lower values, because the net discharge from the riser increases with decreasing
internal recirculation (vf. Fig. 4.42).
As per these conditions, the concentration profile (see Fig. 4.42) shifts by a
specific amount to the left in a reactor where Hfr < TDH; here the following applies
for the distance between the two curves:
P Flux;d .aKL Hfr /
m
%React % D e (4.170)
w3
• In circulating fluidized beds (CFB), the ratio of core zone to boundary zone at
the cross-sectional area is also relevant, due to its influence on temperature profile
and heat transfer.
• The determination of the externally circulating mass flow of solids in CFB plants
is important for the formulation of the energy balance and for modeling the solid
material budget.
• The internally recirculated mass flows of solids are important for the formulation
of the energy balance—they affect the temperature profile along the riser height
and consequently have an impact on the overall behavior of the system.
To meet the above model requirements for the distribution of solids, a core/ring or
two-zone model is often selected. This divides the reactor cross-sectional area into
a core zone in which the particles (carried out by the fluidizing gas mass flow) flow
upwards and a boundary zone in which the particles fall downwards.
Figure 4.43 shows the described division—due to the decreasing concentration
of solids which occurs as the height increases, a mass flow of solids exists that flows
from the core in the direction of the ring. This flow can be determined using the
approach of Kunii and Levenspiel. The following applies:
dmP up
Dm
P net (4.171)
dH
In addition to this mass flow (which can be calculated from the model), there
is a turbulent exchange of particles between the core and the ring; in Fig. 4.43 the
associated mass flows are described as m P net;turb , because these solid flows (which
are identical amount-wise) flowing from the core to the ring and vice versa do not
mdown (H+dH)
mup(H+dH)
Ring
.
Core
.
H+dH
H
mnet,turb dH mnet dH
influence the mass balance, although the turbulent exchange of particles between
the two zones probably has an effect on the energy balance.
The following relationship for the area ratio between core and ring is the result
of a mass balance for a volume element of height 1:
2
ACore dCore "P "P;Ring
A D D D (4.172)
ARing dRing "P;Core "P;Ring
The gas is assumed to flow only in the core. We obtain the intergranular gas
velocity from:
w0
wGK D (4.173)
"P A
In the ring zone, the particle agglomerates fall at a constant velocity wsink; Ring —
this velocity is dependent on the properties of the particle agglomerates. Based on
measurements performed, the 1.5x value of the single-particle free-falling velocity
of a particle (with Sauter diameter) at the relevant height is assumed for wsink; Ring .
To determine the mass flow density of the solids m P Flux;TDH carried out above the
TDH, we must use one of the numerous empirical relationships from the relevant
literature—however, the results of these various approaches differ greatly. One
example of this is the relationship of Geldart (1986), through which the mass flow
density of the solids carried out above the TDH can be determined as follows:
wsink
P Flux;TDH D 23:7g w0 exp 5:4
m (4.174)
w0
Warming Up
After being introduced into the furnace, the coal particles are subjected to a rapid
heating process. Within one temperature range—and assuming a constant spec. heat
capacity of the solid cp Fuel and a constant density Fuel —we can describe the warm-
up procedure by means of the following equation:
3
dFuel dTFuel 2
cp Fuel Fuel D dFuel ˛P;g .TFB TFuel / (4.175)
6 d
402 4 Simulation of firing and gas flow
Various relationships are available for determining the heat transfer coefficient
from gas to solid. According to Basu and Fraser (1991), we may assume the
following relationship for particles in the 5 < dP < 12 mm size range:
˛P;g dFuel
NuP;g D (4.176)
bl
0:1 4 4
dFuel .TFB TFuel /
D 0:33 Re0:62 C bl "P;Fuel (4.177)
dP;Bed dFuel .TFB TFuel /
In the case of large carbon particles, substantial temperature gradients can occur
within the particle during the heating-up process and during pyrolysis. To account
for this, shell models have been used, such as those detailed in Buerkle et al. (1990)
and Solomon et al. (1992).
Drying
When modeling the combustion of coal that has a low water content, the drying
process can be disregarded. In the simulation of the combustion process of brown
coal (which has up to 60 % water content), the drying step should, however, be
addressed. During evaporation of the water, the evaporation enthalpy of the water
and the desorption heat energy of the water contained in the coal must be considered.
One model for drying raw coal was presented by Wang (1993), for example; the
time to completion of drying consists of the heating-up time (to attain the drying
temperature) and the evaporation time added together:
Devolatilization, Pyrolysis
Devolatilization is a process during which parts of the fuel are converted into
the components of volatiles, tar, and char at higher temperatures (over 300 ı C).
This conversion or decomposition process is caused by the input of energy and
contains numerous, complex intermediate reactions (see Solomon et al. (1992)). If
the process takes place in an oxidizing atmosphere it is known as devolatilization—
but if it occurs under inert conditions we call it pyrolysis.
The process is described by simple devolatilization models, which are based
on the assumption that the release rate of volatile components remains constant.
The approach of Pillai (1981), for example, falls under this category: he details a
relationship for the devolatilization duration, based on experimental studies of 12
4.3 Modeling and Simulating of Furnaces 403
Dea D a dFuel
b
(4.180)
These studies were carried out in a bubbling fluidized bed—and the devolatiliza-
tion time is the period between ignition and extinction of the volatile flame. The two
parameters a and b are specified as a function of fluidized bed temperature. Using
this devolatilization time, a (time-constant) rate of release of the devolatilization
products can be calculated as follows:
dmVM 1
D m0 (4.181)
d Dea
dmComp
D kComp Œm0; Comp mComp ./n (4.182)
d
The reaction order n must be determined experimentally; here n D 1 means that
the reaction rate is proportional to the concentration of the reactant (total degradable
metabolic content). The dependence of the reaction rate constant on the temperature
is often expressed by means of an Arrhenius equation:
EComp
kComp D kComp; 0 exp (4.183)
<T
The frequency factor kComp; 0 and the activation energy EComp (or k0 and E if the
overall release is to be described) can be determined by means of the experimental
methods described above. If kComp; 0 and EComp are constant values, we describe this
approach as a single-reaction model, because it presupposes the fact that one single
decomposition reaction causes the formation of the species or the global process.
However, if the devolatilization process takes place due to numerous independent
reactions (because of the inhomogeneity of the source material) (see Anthony and
Howard (1976)), then the decomposition processes will take place at significantly
different temperatures, depending on the strength of the chemical bond in the carbon
molecule. This can be expressed by different activation energies associated with the
various reactions and can be formulated by a Gaussian distribution as follows:
" #
1=2 1 .EComp EComp; 0 /2
f .EComp / D Comp .2/ exp 2
(4.184)
2Comp
variation of the frequency factor is also used (in addition to the distribution of the
activation energy). The choice of the correct model is important if experimental
results are to be adjusted—and particularly if the kinetics of the release process
are to be reproduced under different devolatilization conditions. In these simple
approaches, however, changes in the yield of the relevant component caused by
changing heating-up rates are not addressed.
In General
For the modeling of heat transfer in CFB plants, it is not only the description of the
solids distribution that is important—the modeling of the residual char combustion
is also significant, because it influences heat release (depending on the reactor
height). The char concentration in the inventory material of the fluidized bed reactor
lies between 0.1 % and 1 %; the residual char itself—consisting of the components
of carbon C, hydrogen H, sulfur S, oxygen O, nitrogen N, and ash—remains behind
as an end product of the devolatilization process.
The burn-out of the residual char is influenced by the following factors (see
Haider (1994)):
1. mass transfer between the particles and the suspension,
2. heat transfer between the particle and the vicinity,
3. pore diffusion of the reactant partners,
4. heat transfer by thermal conduction within the particle,
4.3 Modeling and Simulating of Furnaces 405
Initial particle
Conc. of reactants
Conc. of reactants
Cfix C O2 ! CO2
Cfix C 1=2 O2 ! CO
• Boudouard reaction (this occurs when no oxygen reaches the particle, because it
is completely spent in the oxidation of CO to CO2 :
• Gasification reaction:
Cfix C H2 O ! CO C H2
• Methane formation:
One common approach is that of Field et al. (1967)—here the calculation of the
temporal decrease of the char mass mChar is carried out by means of:
dmChar
D kChar mChar ./ (4.185)
d
where the following applies for kChar :
AP;spec;Char pO2
kChar D 1
(4.186)
adiff ;Fi
C kS;1 F
4.3 Modeling and Simulating of Furnaces 407
In Eq. (4.186), AP;spec;Char D AP;Char =mP;Char represents the spec. particle surface
and kS; F is the coefficient of the chemical reaction; this can also be represented as
being dependent on the temperature by means of an Arrhenius equation.
E
kS; F D kS; F; 0 exp (4.187)
<T
2 MC fmc Dbin;O2
adiff ;Fi D (4.188)
dP < T
According to Rajan and Wen (1980), the mechanism factor here is fmc and it
specifies the ratio in which CO2 or CO is formed during combustion:
1 2 2
CC O2 ! 2 CO C 1 CO2
fmc fmc fmc
Here T is the arithmetic mean between the gas and particle temperatures. By
substitution into the original differential equation and integration (Wang 1993),
we obtain a quadratic equation for the determination of the particle diameter as
a function of time. This also enables us to then ascertain the total burn-out time
buo;compl :
2
Char < T dP; Char; 0 Char dP; Char; 0
buo;compl D C (4.190)
8 MC fmc Dbin;O2 pO2 2 k S p O2
„ ƒ‚ … „ ƒ‚ …
buo;diff buo;kin
2
C < T dP; Char; 0
buo;diff D p (4.191)
4 MC fmc Sh "b Dm cO2 ;mol p
408 4 Simulation of firing and gas flow
If the burn-out rate is to be described by a shrinking core model, the description can
be carried out as per the relationship specified by Levenspiel (1972):
p
1
drC c O2 rC2 .rP rC / rC 1
Db 2
C C (4.192)
d mol; Char rP kg rP Deff kS
A classification of firing types is compiled in Fig. 4.45. The grate firing consists
of a fixed bed through which combustion air is made to flow. The grate firing
was originally designed to be also used with coal. Since the increased use of
pulverized coal firing in the 1950s and fluidized bed furnaces, however, the grate
firing is practically no longer used with coal. Current grate firing furnaces are used
for garbage incineration and biomass, especially for chunky goods (wood, etc.).
The advent of the German Renewable Energy Sources Act (EEG 2012, promoting
the use of biomass) saw the construction of many 20 MWth -capacity grate firing
furnaces. Partial gasification processes were tested in thermal refuse incineration
plants up to the end of 2000 (e.g., Thermoselect, Schwelbrenn (by Siemens)),
but the existing facilities have meanwhile been shutdown due to problems with
4.3 Modeling and Simulating of Furnaces 409
continuous operation—and this pushed the grate firing furnace to the fore in thermal
waste disposal. Following the entry into force of the Municipal Waste Technical
Instruction Act, which meant it was now no longer possible to dispose of thermally
untreated waste, so additional capacity had to be created at thermal waste treatment
stations—and this introduced an enormous boom in the construction of new plants
and the extension of existing ones.
In the mathematical modeling of grate firing furnaces, we must distinguish
between two fundamentally different zones, for each of which we use a completely
different model approach; this zone of the grate, which will passed through by a
preheated air flow. When garbage is fed into it, the waste heats up. Depending
on the local temperature levels, the heating-up of the garbage layer in the range
between 20 and 100 ı C, the evaporation of the garbage moisture at 100 ı C,
the further heating of the garbage layer from 100 to 300 ı C and the resulting
pyrolysis, ignition, and burn-out are mathematically described in the zones. As a
result of this combustion model the concentrations of Cx Hy , CO, CO2 , H2 O, O2
SO2 , HCl, N2 , and O2 , the temperature of the garbage bed and the temperature
of the flue gas entering the furnace are given. At the end of the reaction path
on the grate, the ash is removed from the grate together with a certain amount
of unburned residue (components that still possess a heating value). Depending
on the type of grate construction, backmixing of garbage in various stages of
conversion can take place. In moving grates, reciprocating grates, and roller grates,
this backmixing mechanism is widespread, but it hardly exists in the case of
horizontal traveling grates. Regardless of the grate construction, concentrations of
gas are always released and these have different compositions which correspond to
the conversion stage of the garbage. Initially, the flue gas ascending from the garbage
bed primarily consists of N2 , O2 , and water, after which hydrocarbons Cx Hy , CO
and increasing amounts of CO2 are released, raising the temperature level of the
410 4 Simulation of firing and gas flow
flue gases accordingly. The released gases can then be modeled by means of the
approaches usually used for turbulent homogeneous gas phase reactions (e.g., the
eddy dissipation concept).
The fixed bed surface of the garbage layer on the grate has a specific heat release
profile and the corresponding distribution of species Cx Hy , CO, CO2 , H2 O, and O2 .
This is determined on the basis of operational measurements and/or experimental
or empirical data. The distribution of the hot gas mass flows and the composition
of the gas concentrations, plus their temperature distribution can also take place
analytically by means of an integral balancing of the material and enthalpy flows.
This main route leading to the modeling of grate firing systems was used by
Krohmer and Epple (1995), Klasen and Görner (1998), Krüll et al. (1998), and
Görner and Klasen (1998). An approach like this—involving the modeling of the
garbage conversion on the actual grate—requires a relevant amount of previous
knowledge about the operating behavior of the grate system in question.
A more advanced approach is to use a combustion model that describes fuel
conversion on the grate. With a grate model like this, the individual processes (some
of which run concurrently) are considered analogous to the corresponding processes
in the heterogeneous combustion of other fuels. Here we must address the specific
conditions of the fuel conversion in a moving bed. The different shapes and sizes of
the bulk material and their stochastic distribution over the garbage bed complicate
the description of the physico-chemical processes in such collectives, since these
processes are simultaneously dependent on the specific fuel properties and the bed
characteristics (Gumz 1953; Hämmerli 1983). In addition, the processes of mixing
and demixing are determined by the grate system to be used. Depending on the
objective there are various grate models available. In the modeling of multiphase
fluids, we distinguish between the Euler and the Lagrange approaches. In the Euler
method, the polydisperse garbage layer is regarded as a continuum and its movement
along the grate is described by means of integral transport equations (using system
boundaries arranged in series). In the Lagrange approach to grate firing modeling,
we use the Discrete Element Method (see Sect. 3.6), where the mechanical transport
is described by means of discrete particles (via particle–particle interactions). In the
Euler approach, we distinguish between a stirred tank reactor cascade model and
a continuum model. In the stirred tank reactor cascade, the continuous process of
garbage conversion on a furnace grate is divided into discrete zones, in similar
manner to chemical engineering. The individual steps of the process flow are
represented in individual, time-dependent stirred tank reactors. The transport from
the first to the last reactor element takes place by means of a cascade connection.
A reflux can also be defined by connecting the individual reactors appropriately.
The number of reactors must at least correspond to the number of grate zones
(see Fig. 4.46). This means that the physical influence of the bulk characteristics is
neglected here, since the combustion process of a grate firing furnace via a cascade
of stirred vessels is only described as a transient, chemically controlled process.
The temporal change of a transported variable in a stirred tank element can thus be
described in the differential form of a general transport variable .
4.3 Modeling and Simulating of Furnaces 411
Air intake
Pressure compensation
Inlet ascending gas
Garbage feed
Stirred
Tank 1
Stirred
Tank 2
Stirred
Tank 3
Slag
outflow
d
D P Inlet POutlet C SP (4.193)
d
The source/sink term SP comprises the conversion through individual processes
such as drying, pyrolysis, and heterogeneous combustion. This results in a coupled
system of differential equations for the transported fuel components, including
the transported sensible heat of the solids and the addressing of all stirred vessel
elements. This can be solved by a step-size-controlled Runge–Kutta method (Murza
1999).
In the continuum approach for waste grate firing furnaces, the garbage layer is
viewed as a continuum—so the transport procedure along the garbage bed on the
grate is approximated with the Euler approach. Analogous to the flow simulation,
the distribution of the transport variables is described by finite volume and here
both steady-state and transient simulations are possible. In the continuum concept,
bulk characteristics such as void fraction and density must be already given or be
determined by empirical methods. Similarly, the mechanical mixture in the garbage
bed must be determined from available empirical data or determined experimentally
(Beckmann 1995), meaning that local mixing processes within the control volumes
cannot be balanced. Here we assume that homogeneous distribution exists within
412 4 Simulation of firing and gas flow
the control volumes—so the control volumes should therefore have the smallest
possible dimensions in reactive zones. There are numerous empirical approaches
available for pebble bulk material properties. For the purposes of simplification, we
also assume that the fuel in question is homogenous, consisting of the elements C, H,
O, N, S, and Cl. If the chlorine release in a flow simulation is taken into account, then
corrosion predictions can be performed. This enables us to make lifetime predictions
for exposed components.
The fuel is guided over a grate, through which preheated air flows. The gas
balance on a grate is shown schematically. In the front zone, the primary air is used
as a heat carrier for heating up and drying the garbage bed. The following data is
required to carry out the simulation:
1. the geometry of the grate and the dimensions of the individual grate zones
2. primary air: flow rate, temperature, air humidity
3. garbage fuel: mass flow rate, particle diameter (cluster idealized as pebbles or
spheres), and bulk density
4. emissivity of the furnace walls.
The air is passed through the garbage bed by the way of a cross flow. This results
in a gas with various compositions each of which corresponds to an individual grate
zone. A balance equation must be solved for the enthalpy and for each fuel variable
that is present in the combustion model.
The processes occurring in the garbage bed—drying/evaporation, pyrolysis, and
combustion—are controlled by the heating-up of the garbage. The heating-up of the
layer of fuel is carried out by convection generated by preheated primary air, radiant
heat from the furnace, and thermal conduction between the layers. The radiation heat
acts only on the surface of the fuel layer. Based on the agitation effect of the grate,
hot garbage pieces and smoldering garbage nests are transported from the upper
layer into the lower colder layer. This induced mass transfer leads to a warming of
the lower layers and—as a result of the temperature rise—to ignition and initiation
of the combustion process.
Therefore a more detailed description of the agitation movement (“poking the
fire”) is required, depending of course on the grate system used (roller, traveling,
moving, or reciprocating grate), because energy transfer through agitation has a
greater impact on heat transfer than energy transport through heat conduction. The
agitation of the garbage bed represents a purely mechanical process, induced by the
movement of the transport grate. The garbage bed is divided into separate layers
and agitation is carried out by specifying an agitation rate using the exchange of
mass between these two layers. With the mass transfer, energy and grain sizes are
exchanged between the layers at the same time. The number of layers may be limited
to two, since no empirical approaches yet exist for the agitation rates. The agitation
of the garbage bed mainly occurs perpendicularly to the main direction of the bulk
material transport—meaning in a vertical direction. We can therefore disregard an
agitation over the width of the grate transport and the modeling approach can be
restricted to two dimensions.
4.4 CFD Program Structure and Program Flow 413
Grate firing furnaces have the advantage that lumpy materials with a heterogeneous
composition can be used—so the effort and costs involved in the treatment, grinding
and drying of the fuel can be omitted. Drying takes place directly on the grate in the
1st grate zone. If we consider the first phase of surface evaporation in the modeling
of the garbage drying process, then relationships can be specified using the laws of
coupled heat and mass transfer:
b
PD D
m pSat .TP;O / pH2 O;g nP AP;O (4.194)
RH2 O;f TP;O
where TP;O is the temperature of the particle surface, nP is the particle number and
Sh DH2O;g
bD (4.195)
dP
After reaching the saturated-steam temperature (100 ı C at 1.013 bar), the intense
build-up of heat caused by furnace radiation leads to vaporization at the surface of
the garbage bed. This means that after the first phase of evaporation, the vaporization
phase starts. Krüll (2001) states that the vaporization process in the garbage bed
(as surface vaporization) can be approximated to calm surface evaporation boiling
(Baehr and Stephan 1994). The steam mass flow thus results from the potential of
the fuel enthalpy at the boiling point. This means that the amount of water which can
evaporate is just as much as the fuel-related excess heat that can be made available
for the evaporation process. We can determine the steam mass flow of the surface
evaporation by using the following relationship:
P Fuel .TP;O / H
H P Fuel .TSat /
PD D
m (4.196)
r C hBind
The enthalpy of bonding results from the sorption isotherms. A constant value of
400 kJ/kg (Görres 1997) is used for the modeling of biomass combustion.
CFD can be used advantageously at all stages of plant projects in energy, envi-
ronmental, process and power plant technology (see Fig. 4.47), e.g., at the product
development stage and optimization stages in the fields of research, development,
and engineering. The use of CFD is also advantageous in the commissioning and
subsequent operation of plants. Here measures can be found which increase the
operating availability and optimization levels of the plants, both of which have
an impact on product optimization. Regarding the applicability in the treatment of
complex component geometries, nowadays virtually no restriction exists, since we
4.5 Use of CFD in the Processing of Practical Tasks 415
Visualization of
MARKETING
MARKETING flow processes
„Troubleshooting‘‘,
OPERATION Optimization
can use unstructured grids to implement almost any shape of geometric objects into
a numerical grid system—and the treatment of tasks for reactive multiphase flows in
a combination of stationary and rotating component systems is also possible today.
We will now cover some complex applications as examples to help explain this
topic.
In most cases, a combustion chamber fires various fuels, which are then burned with
an individual burner system. Examples of this are the use of natural gas or oil-fired
start-up or auxiliary burners in coal-fired power plants and the co-incineration of
biomass, sewage sludge, animal meal, and garbage (refuse-derived fuel (RDF)). The
following example (see Epple and Krohmer (2001)) illustrates a chemical industry
combustion chamber, the main fuel of which is natural gas or oil and from which a
low-caloric, gaseous by-product (lean gas) is to be disposed of. The burners of the
main furnace are arranged in the corners (Fig. 4.48) and oriented on an imaginary
tangential circle in the middle of the combustion chamber. The lean gas and the
combustion air flow over the burners on the floor into the combustion chamber. The
aim of the study was to co-incinerate as much lean gas as possible (but in a stable
and safe manner) and to reliably estimate this amount by means of a CFD study.
The second aim of the study was also to investigate how the supplementary firing
equipment affects the behavior of the main furnace and vice versa.
Figure 4.49 shows the simulated temperature and flow distributions in the
horizontal cross-section on the lowest burner plane. In the case of symmetric flow
distribution, this is a pure natural gas firing. In the other case, the maximum amount
of lean gas is co-incinerated in addition to the natural gas firing. The simulation
416 4 Simulation of firing and gas flow
Natural gas /
Oilu brner
Lean gas
burner
8
xx
8m
Arrangement of
lean gas burners
Fig. 4.49 Horizontal cross-section at the lowest burner plane: simulated velocity and temperature
distribution
makes it clear how the high impulse of the lean gas burner deflects the burner flow
of the main burner in a horizontal direction to the combustion chamber wall. The
flame flow does not, however, reach the walls—if it did, the tube walls would be
destroyed. We can also clearly see that the flow of the lean gas floor burner does not
4.5 Use of CFD in the Processing of Practical Tasks 417
enter the bottom corners of the burner and therefore does not affect the root of the
flame of the main burner—if this happened, the flames could be extinguished. There
is therefore no danger of impairing the combustion stability of the main burner.
On the basis of this CFD study, the maximum amount of lean gas that can be
co-incinerated stably and securely was determined. During subsequent operation of
the plant with the amount of lean gas determined by means of the simulation study,
it was seen that the prognosis matched the actual operating results very well.
+ 167.5 m
+ 113.5 m + 113.2 m
± 0.0 m
750 MWel Hard coal 330 MWel Brown coal 1.000 MWel Brown coal
Fig. 4.50 Comparison of different designs of coal-fired steam generators (source: Alstom)
418 4 Simulation of firing and gas flow
Fig. 4.51 Geometry (left), calculated temperature (middle), and wall heat flows (right) in a brown
coal-fired steam generator (Epple and Stöhle 2005f)
4.5 Use of CFD in the Processing of Practical Tasks 419
Based on the study, problem zones were detected and countermeasures intro-
duced, such as the local application of dust-inhibiting devices, wear plates, and
heating surface cladding. Figure 4.53 shows an example of the relationships for
a particular operating case—here we can see different heights in horizontal cross-
sections located in front of and behind specific heating surfaces. The locations of the
heating surfaces are shown in Fig. 4.52 on the right. Before entering the superheater
surface (SH1), in a central zone (RH2), and at the outlet of the economizer (ECO),
the simulated distributions over the cross-section of the combustion chamber are
shown individually. The velocities are shown on the left half of the illustration
and the temperatures are on the right. The firing-related asymmetry at the furnace
end before entry into the first heating surface bundle combustion chamber (SH1) is
clearly visible. The range of excessive velocities and temperatures lies in the same
area. When the exhaust gas passes through the heating surfaces, a corresponding
amount of heat is removed from it (Fig. 4.53). Towards the top, the heating surface
pitch decreases steadily—and the horizontal tube spacing is reduced to only 110
mm in the ECO zone. This causes the deviations of the exhaust gas temperature
distribution over the combustion chamber cross-section to become increasingly
smaller. The distribution of temperature is almost uniform at the outlet of the
economizer; the velocity distribution only becomes more non-uniform through the
re-direction into the 2nd pass. This is where the essential feature and the advantage
of the tower construction becomes clearly visible. Since tower boilers have no gas
ECO
RH 1
SH 2
RH 2
SH 3
SH 1
Fig. 4.52 Longitudinal cross-section and heating surface arrangement of a raw brown coal-fired
steam generator with 330 MWel
420 4 Simulation of firing and gas flow
Velocity Temperature
°C 336
ECO (Outlet)
ECO (Outlet)
max °C 341
min °C 328
w m/s 5.28
wmax m/s 8.49
wmin m/s 4.21
°C 817
RH-2 (Inlet)
RH-2 (Inlet)
max °C 896
min °C 727
w m/s 7.78
wmax m/s 8.46
wmin m/s 7.15
max °C 1063
min °C 849
w m/s 7.82
wmax m/s 10.67
wmin m/s 5.55
m/s 12 11 10 9 8 7 6 5 4
Fig. 4.53 Velocity and temperature distribution over the combustion chamber cross-section at
different heights (position of the heating surfaces SH1, RH2, ECO see Fig. 4.52)
side deflectors between the heating surfaces, the heating surfaces can be arranged
in the flue gas pass one above the other, as in a “tower,” with the result that the
temperature and velocity differences become increasingly smaller towards the top.
This applies to both flue gas side conditions and consequently to the water/steam
process side conditions.
Two-pass steam generators have an off-gas deflection between the heating
surfaces and this greatly increases the over-temperatures on both the off-gas side
and the process side (Epple and Perez 2003). This is why the over-temperatures
on the process side of tower boilers are always lower than those of two-pass steam
generators.
The dust loading distribution of the exhaust gas is shown in Fig. 4.54. Based on
the transverse heating surface tubes, which horizontal spacing becomes increasingly
smaller at higher levels, largely suppress any cross-mixing of the dust-laden flue
4.5 Use of CFD in the Processing of Practical Tasks 421
0.10
0.08
0.06
0.04
0.02
Fig. 4.54 Dust loading [kg ash/kg flue gas]; distribution of the ash over the cross-section at the
furnace end (before entry into the SH1) and the end of the combustion chamber (after ECO); 330
MWel steam generator
gases. It can be seen that the dust loading distribution is almost identical, prior
to entry into the first transverse heating surfaces (SH1) and after exit (ECO).
This means that dust streaks are not removed when passing through the heating
surfaces—so for protection against wear, appropriate dust-inhibiting devices must
be installed in certain areas, like, for example, those in the vicinity of containment
walls (heating surface passages and bends), which are particularly vulnerable to
wear.
CFD has also become an indispensable tool in the design of completely new
combustion systems. This can be illustrated by the example of the design of a dry
brown coal furnace.
Brown coals usually have a very high water content. In coals of German origin,
these values can reach as high as 60 %. This is why the raw brown coal is predried
during the grinding process using special mills (usually of the beater-wheel type)
with recirculated hot exhaust gases (approx. 1000 ı C). From an exergetic standpoint,
this is very unfavorable since a medium with a very high-temperature level is being
used to evaporate water out of the coal at 100 ı C.
A much advantageous exergetic option is to dry the coal with a low calorific
medium. This can be done using one of the external predrying methods that are
available (e.g., (Klutz et al. 2006)). Transition to a concept like this can increase the
overall efficiency of the power plant process by up to around four percentage points.
A comparison of combustion chamber sketches (Epple et al. 2005b) of a dry brown
coal-fired steam generator with a capacity of 950 MWel and a raw brown coal-fired
steam generator (600 MWel ) is shown in Fig. 4.55. The flue gas recirculation shafts
in the upper area (Fig. 4.55, right) are also worth a mention—hot waste gases are
recirculated through these into the beater-wheel mills to dry the raw brown coal.
422 4 Simulation of firing and gas flow
90
80
70
60 60
50 50
Z [m]
40 40
Z [m]
30 30
20 20
10 10
0 0
0 20 0 20
10 10 10 10
X [m] 20 0 Y [m] X [m] 20 0 Y [m]
Fig. 4.55 Burner chamber sketches. (Left: dry brown coal 950 MWel , right: raw brown coal 600
MWel .)
Beater-wheel mills are not used for predrying in dry brown coal furnaces
(Fig. 4.55, left), since the coal has already been predried and is fed to the burners
with a residual moisture of around 12 %. So we can now select a combustion system
which corresponds to the system for hard coal, in which the fuel flow is fed at one
height in a plane (the so-called circuit layer) to the burners which are distributed
over the circumference. This makes it possible to achieve symmetrical flow and
temperature distribution. A comparison of the horizontal flow distribution on the
lowest burner plane is illustrated in Fig. 4.56, based on the simulation of both
combustion concepts. In the raw brown coal furnace, the asymmetry of the flow
field can be clearly seen—and since one mill is out of operation, this burner is in
cooling air mode. This is the reason why only a very slight momentum is present in
this area—the center of the rotary flow moves in the direction of the wall where the
non-operated burner is located.
Another aspect of dry brown coal furnaces is the higher combustion chamber
temperatures and the associated risk of slagging. In the case of dry brown coal,
the water content of the fed fuel is only 12 %, instead of the initial value of more
than 50 %. The lower heating value of the coal is thus increased from 9.2 MJ/kg
(raw brown coal) to a value of 19.5 MJ/kg (dry brown coal). Even with the same
steam generator performance and consequently the same rated thermal input, this
nevertheless causes a considerable reduction in the off-gas volume flow produced
during combustion. In conjunction with a lowering of the air ratio from 1.15 to
4.5 Use of CFD in the Processing of Practical Tasks 423
Mill out of
operation
20 20
18 18
16 16
14 14
12 12
y [m]
y [m]
10 10
8 8
6 6
4 4
2 2
0 0
0 2 4 6 8 10 12 14 16 18 20 0 2 4 6 8 10 12 14 16 18 20
x [m] x [m]
Fig. 4.56 Simulated velocity distribution in the lower burner plane area. Left: on the basis of the
dry brown coal furnace concept. Right: on the basis of the conventional raw brown coal furnace (a
minimum of one mill out of operation).
1.1, this results in an off-gas volume flow, the value of which only amounts to
74 % of that in raw brown coal furnaces. Here it is very important to note that
the maximum temperature level of the furnace increases from 1250 to 1500 ı C
(Fig. 4.57). Since the predrying process does not change the mineral fraction (e.g.,
alkali compounds) of the coal, the risk of slagging in the furnace is significantly
increased due to the higher temperature level. The approach for the CFD furnace
simulation study is as follows: In the first step, a simulation of the flow, combustion,
and heat transfer processes in the steam-generating furnace was carried out. The
distribution of the reactive flow of the dry brown coal furnace is shown in Fig. 4.56.
Here the multiphase flow of the pulverized coal combustion can be modeled by the
Euler/Euler approach, since the concentration of solids (with maximum values of
0.4 (kg solids)/(kg gas) in the burner outlet zone) is relatively small—and a dilution
effect occurs very quickly due to the size of the furnace.
In the second step of the study—as soon as the course of the single particle
trajectories have to be predicted—the modeling of the particle motion must be
carried out using a Lagrange approach. Here the trajectories and the time- and
distance-dependent temperature development of individual reactive particles are
calculated. If a particle impinges on the wall, it can be reflected or remain adhered
to the wall. The ash initial softening temperature, for example, can be used as an
adhesion criterion. If the particle temperature at the time of impingement on the wall
is higher than the ash initial softening temperature, the particle will remain bonded
to the wall (Fig. 4.58). A systematic comparison of possible modeling approaches
for modeling reactive multiphase flows with measured values is published in Epple
et al. (2005a). The ash adherence behavior of a dry brown coal-fired steam generator
424 4 Simulation of firing and gas flow
1600
Average temperature raw brown coal
Average temperature dry brown coal
1400
Temperature [°C]
1200
1000
800
600
-20 -10 0 10 20 30 40 50 60 70
Top of the hopper Dry brown coal Burn-up air Off-gas Burn-up air Burn-up air
burner zone raw brown coal suckback dry brown coal dry brown coal
raw brown coal
Combustion chamber height [m]
Fig. 4.58 Model-based approach for the adhesion of particles impinging on the wall
and a raw brown coal-fired steam generator was modeled on the basis of the
described procedure.
As is to be expected, the ash adherence behavior is heavily dependent on the
height of the ash initial softening temperature. This can be seen in Fig. 4.59, where
the accumulation of the ash deposition mass flows is shown for different ash initial
4.5 Use of CFD in the Processing of Practical Tasks 425
0.6
Dry brown coal TAdh = 1290 °C Raw brown coal TAdh = 1140 °C
Dry brown coal TAdh = 1190 °C
Accumulated ash mass flow [kg/s]
0.2
0.0
-20 -10 0 10 20 30 40 50 60 70
Top of the hopper Dry brown coal Burn-out air Off-gas Burn-out air Burn-out air
burner zone raw brown coal suckback dry brown coal dry brown coal
raw brown coal
Combustion chamber height [m]
Fig. 4.59 Accumulated ash deposition mass flow on the combustion chamber walls for raw and
dry brown coal firing systems
z [m] z [m]
90 70
80
60
70
60 50
50 40
40
30
30
20 20
10 10
0
0
0 10 20 10 20 10 0 10 0 0 5 10 15 20 5 10 15 20 15 10 5 0 15 10 5 0
y [m] x [m] y [m] x [m] y [m] x [m] y [m] x [m]
Dry brown coal Raw brown coal
mFlux,Ash [kg/m2 s] (TAdh = 1140 °C)
Fig. 4.60 Ash deposition rates on the furnace walls in the dry and raw brown coal firing concepts
(adhesion temperature of the particles: 1140 ı C) m
P Flux;Ash Œkg=.m2 s/ 104
4.5 Use of CFD in the Processing of Practical Tasks 427
nor even the risk of slagging are expected to occur. This is mainly thanks to the
symmetric flow field that occurs in dry brown coal furnace concepts.
The dry brown coal firing concept described overleaf is a configuration with
jet burners. Similarly, a concept using vortex burners can be developed for dry
brown coal and it also results in low levels of ash adhesion. Figure 4.61 shows wall
deposits and several calculated particle trajectories of one size category (based on
one burner). Only minor deposits of small particle fractions were observed around
the burner areas; these fractions are transported to the wall by the recirculation flow
of the burner.
In hard coal-fired steam generators, NOx emissions to the order of 300 mg/m3
(normally 6 % O2 , see Epple et al. (1995a) and Epple et al. (2004)) were achieved
using an air-staged mode of operation.
To accomplish this, part of the air is directed to the combustion chamber walls
(see Fig. 4.62). Air staging within one plane is thus performed. Inside the combus-
tion chamber cross-section, a lack of oxygen zone is set up in order to achieve low
NOx emissions. At the same time, sufficiently high oxygen concentration values
must be present at the walls in order to protect these from corrosion. This is why
the combustion chamber simulation is often used in hard coal-fired plants to predict
high-risk corrosion areas on the furnace walls. The rotational flow in a tangential
furnace can be illustrated by comparing it with the flow in a cyclone dust separator.
A rotational flow is first formed and it flows downwards; in the lower area (above
the furnace hopper) the flow then reverses its course and is directed upwards in the
428 4 Simulation of firing and gas flow
Pu Offs
lve et a
riz ir
an e d
d
Se coa
co l/P
nd rim
ar a
y a ry
i r ai r
Fig. 4.62 Alignment of the pulverized coal burner on the tangential circle, air staging within the
plane through alignment of a partial air flow (wall air) in the direction of the wall (Epple et al.
1995b)
vortex core. This results in a lower penetration depth for the burners arranged in the
upper burner belt zone. We must therefore pay special attention to the top zone of
the burner belt, because (if at all) a lack of oxygen can occur on the walls in this
zone and in the zone above it.
Figure 4.63 on the right shows the calculated O2 concentration distribution on
a horizontal plane in the burner zone of a tangentially fired hard coal boiler. It can
be clearly seen that the flow entering from the corners is deflected (clockwise) by
the tangential vortex. Special wall airstreams, injected at a low angle to the wall,
provide an oxygen-rich atmosphere along the wall, keeping corrosive gases away
from it (indication of these based on CO).
Another application is the simulation of coal mills for hard or brown coal, each of
which has a completely different structure. Roller or bowl mills are normally used
in mills for hard coal (see Fig. 4.64a and b). The coal first falls through a central
downcomer into the mill; it is then crushed between the rollers and the bowl, which
is driven by an electric motor. The primary air—injected by primary air nozzles and
flowing at the outer periphery of the bowl—enters the mill, conveying the coal dust
upwards to the classifier, which only allows small particle fractions to pass through.
4.5 Use of CFD in the Processing of Practical Tasks 429
Sectional
plane
Fig. 4.63 Geometry (left), calculated O2 concentration (above), and CO concentration (below) in
a hard coal-fired steam generator (Epple and Stöhle 2005f) (Darker = high values, brighter = low
values)
Dust outlet
Classifier drive
Classifier Downshaft
Hydraulic
cylinder
Grinding bowl
Fig. 4.64 Roller/bowl mill. (a) Structure of a roller-bowl mill . (b) Numerical grid of a roller/bowl
mill with centrifugal classifier, coal throughput of 105 t/h, mill roll diameter 2800 mm (Epple and
Krohmer 2001)
CFD studies can be used to examine flow behavior in the mill and to optimize the
classifier system to produce the finest possible grain size—this reduces the carbon
content in the fly ash, which is desirable, especially in the case of NOx -deficient
430 4 Simulation of firing and gas flow
Classifier
Beater wheel
Motor
Bearing
Mill door
Recirculation
channel for
oversize fractions
Mill Gear
housing
Fig. 4.66 Numerical grid of a beater-wheel mill with primary beater (Epple and Krohmer 2001)
combustion. The stored fuel mass can also be determined and this is relevant for
load variations.
In beater-wheel mills for brown coal (see Figs. 4.65, 4.66, and 4.67), hot off-
gases are recirculated from the combustion chamber through shafts into which the
4.5 Use of CFD in the Processing of Practical Tasks 431
Fig. 4.67 Numerical grid of a beater-wheel mill for maximum flow rates > 130 tons of coal/h
(Epple and Stöhle 2005f). A view of the inlet to the rotating beater wheel
raw brown coal is fed. The rotating beater plates cause the coal to be impacted and
crushed against the mill spiral. There is often a classifier system to be found at the
outlet of the mill. This allows only fine fractions to enter the burner—oversized
fractions are fed back to the mill. We can see that a beater-wheel mill is functionally
versatile—in addition to crushing and drying the coal, it also transports the hot off-
gas (around 1000 ı C) like a recirculation fan, creating a certain pressure build-up,
which itself is necessary for transporting the ground coal into the pulverized coal
piping.
Figure 4.68 shows the calculated pressure and temperature distribution in a
beater-wheel mill. The images show the build-up of pressure created by the rotating
beater wheel and the cooling of the off-gas temperature through evaporation of the
moisture in the coal. Wear-prone areas can also be identified and optimized.
432 4 Simulation of firing and gas flow
Fig. 4.68 Geometry (left), calculated pressure (middle), and temperature (right) in a beater-wheel
mill (Epple and Stöhle 2005f) (Darker = low value, brighter = high value)
The complex behavior of fluid–solid flows and the enormous computational effort
caused by strong interactions between the fluid and the particle phase and between
the particles themselves tend to thwart the large-scale simulation on the basis of
the single-particle method. Nevertheless, the applicability of CFD-DEM models for
calculating fluidized beds in laboratory-scale fluidized beds has been confirmed in
numerous publications, although in most cases it was non-reactive problems that
were calculated. In cold fluidized beds, it is mainly the clusters and bubbles that
drastically affect dynamic system behavior—and these can therefore be considered
as key elements in the fluidization of the solid phase. An application example to
calculate a bubbling fluidized bed is shown in Fig. 4.69. It was carried out by the
author using the Institute’s own DEM code DEMEST. For the quasi-2D simulation,
25000 identical particles with the characteristics of glass and a diameter of 2.5 mm
were used; air at a flow rate of 0.0035 kg/s was used as a means of fluidization
4.6 Simulation of Highly Laden Flows (Fluidized Beds and Pneumatic Transport) 433
H [m]
1 m/s
0.4
0.3
0 m/s
0.2
0.1
0.0 -1 m/s
τ=0s τ = 0.2 s τ = 0.4 s τ = 0.6 s τ = 0.8 s τ = 1.0 s τ = 1.2 s τ = 1.4 s
H [m]
1 m/s
0.4
0.3
0 m/s
0.2
0.1
0.0 -1 m/s
τ = 1.6 s τ = 1.8 s τ = 2.0 s τ = 2.2 s τ = 2.4 s τ = 2.6 s τ = 2.8 s τ = 3.0 s
H [m]
1 m/s
0.4
0.3
0 m/s
0.2
0.1
0.0 -1 m/s
τ = 3.2 s τ = 3.4 s τ = 3.6 s τ = 3.8 s τ = 4.0 s τ = 4.2 s τ = 4.4 s τ = 4.6 s
Fig. 4.69 Spatial distribution of the particles in a bubbling fluidized bed (Alobaid et al. 2010)
(see Table 4.8). The forces addressed in the simulation were gravity, buoyancy, drag,
Basset force, Saffman force, pressure, Magnus force, and contact force.
Figure 4.69 clearly shows that one single bubble forms near the nozzle at the
beginning of the calculation; this bubble grows steadily with a continuous supply
of air and leaves the ground at about D 0:6 s. The particle backflow close to the
wall causes the bed above the bubble to become steadily thinner, so the bubble
rises faster, simultaneously accelerating the particles above the bubble upwards.
By the point in time D 0:8 s, the particle layer between the nozzle and bubble
has developed so strongly that the nozzle has increasingly less influence on the
bubble as the simulation progresses. While a second bubble forms and grows from
D 1 s in the nozzle area, the first bubble assumes a plug form and fills the
434 4 Simulation of firing and gas flow
H [m]
1.0
0.8
0.6
0.4
0.2
0.05 0.3
0.0 0.2
0.1 Primary air supply
-0.05 0.0
cross-sectional flow area almost completely. From this point on the particle ceiling
becomes increasingly thinner, until the plug completely dissolves at D 1:8 s. As
the experiment continues, effects such as collapsing and the filling of a bubble with
particles can be observed.
example, Fig. 4.70 shows a circulating fluidized bed with a particle separator,
calculated using the DEMEST code. 65000 identical particles with a diameter of
2.5 mm were used for the 3D simulation. The particle and fluid properties used are
listed in Table 4.8. The fluid mass flow rate was 0.15 kg/s. The forces calculated in
the simulation were gravity, buoyancy, drag, Basset force, Saffman force, pressure,
Magnus force, and contact force.
Figure 4.71 shows the simulation results of the circulating fluidized bed—the
first image shows the particles in their initial configuration. The primary air supply,
which is fed through a single nozzle, produces the main flow and creates a vortex
flow typical of the cyclone ( D 2 s, D 4:4 s, and D 4:8 s). The air supply in
the loop seal guarantees the return of the deposited particles to the fluidized bed.
Due to their high concentrations of solids, fluidized beds place particularly high
demands on a simulation. Figure 4.72 shows an example of the calculated pressure
and velocity distribution in a cyclone. It can be seen that the pressure decreases very
much between the outer wall and the center. The highest velocity is to be found in
the region of the inlet into the dip pipe.
In (Eisl et al. 2008), the solid distribution in a circulating fluidized bed test system
(inner diameter of the riser was din D 100 mm, riser height was H D 4:3 m) was
simulated using a Euler–Euler approach—also referred to as a two-fluid model. The
particle flow was treated as a fluid, whereby the assumption was made that both
solid and gas phases were interpenetrating continua. The momentum and continuity
equation was solved for each phase. Coupling between the two phases was carried
out by means of the pressure and of the interphase transfer coefficient, which, in the
case of a granular flow, is derived from kinetic theory.
The numerical simulation was carried out in transient manner and for a time
period of 45 s. The assumption that no solid would leave the fluidized bed system
was made as a boundary condition for the simulation. This assumption had to be
made in order to achieve a numerical convergence of the procedure—it does not,
however, match reality in this form, since a 100 % separation of solid particles from
the gas–solids flow in a cyclone cannot be achieved. A high solids mass fraction was
also detected—another negative influence on the convergence of the simulation. For
the numerical simulations, the mass of the quartz sand had therefore to be reduced
to a minimum, which barely allowed a guaranteed circulation.
Figure 4.73a and b shows the results for the solid distribution in the fluidized bed
system for two different points in time. The time difference between the two panels
in Fig. 4.73a and b is 4.5 s. Both panels show the same vertical section through the
center plane of the plant. As can be seen from the two panels, the distribution of
solids changes greatly under the simulated conditions in the fluidized bed system.
436 4 Simulation of firing and gas flow
H [m]
1 m/s
1.0
0.8
0.6
0 m/s
0.4
0.2
-1 m/s
0.0
τ=0s τ = 0.4 s τ = 0.8 s τ = 1.2 s τ = 1.6 s τ = 2.0 s
H [m]
1 m/s
1.0
0.8
0.6
0 m/s
0.4
0.2
-1 m/s
0.0
τ = 2.4 s τ = 2.8 s τ = 3.2 s τ = 3.6 s τ = 4,0 s τ = 4,4 s
H [m]
1 m/s
1.0
0.8
0.6
0 m/s
0.4
0.2
-1 m/s
0.0
τ = 4.8 s τ = 5.2 s τ = 5.6 s τ = 6.0 s τ = 6.4 s τ = 6.8 s
Fig. 4.71 Spatial distribution of the particles in a circulating fluidized bed (side view)
Quartz sand with an average particle diameter of 230 m was used as material for
the solid.
A snapshot of the flow structure in the lower part of the riser of the laboratory
fluidized bed system can be seen in the two panels in Fig. 4.74. The left-hand panel is
4.6 Simulation of Highly Laden Flows (Fluidized Beds and Pneumatic Transport) 437
Fig. 4.72 Numerical grid (left), calculated distribution of pressure (middle), and velocity (right)
in a cyclone (Epple and Stöhle 2005f) (darker = high value, brighter = low value)
a photo taken of the flow structure using the simulation parameters—but before the
right-hand panel was photographed, the mass flow was doubled for the secondary
air in the feedback path.
During the experiments using the simulation parameters, it was found that
most of the quartz sand was not fluidized in the feedback path and therefore
remained lying where it was. This resulted in almost no solid particles being
present in the riser of the pilot plant, as can be seen from the left-hand panel
of Fig. 4.74. A comparison with the results of the numerical simulation, however,
shows completely different behavior here. In the numerical simulation, the sand
particles were continuously transported from the feedback path into the riser and the
quartz sand could not accumulate in the feedback path as a result. Only an increase
in the mass flow for the secondary air in the feedback path led to a significant
increase in the proportion of quartz sand in the riser (right-hand panel of Fig. 4.74)
and thus to behavior that was similar in both the laboratory fluid bed system and the
numerical simulation.
This example shows very clearly that the currently available means of numerical
simulation are already very advanced—but it also shows that they are not yet
sufficient if we wish to make a prediction of the behavior of, e.g., a fluidized
bed system with its high number of particles. In 1979, Cundall (1979) presented
a procedure for calculating the motion of a large number of particles. The procedure
is described in Sect. 3.6 and the method could help us in this case.
438 4 Simulation of firing and gas flow
Fig. 4.73 Volume fraction of the solid phase in a laboratory fluidized bed system (Eisl et al. 2008).
(a) Volume fraction of the solid phase, D 19:2 s. (b) Volume fraction of the solid phase,
D 23:7 s
In the case of many technical issues, we do not always require, e.g., the temperature
and velocity distribution or the ash adherence in the combustion chamber or the
subsequently arranged flue gas pass of a steam generator, etc., we use a numerical
simulation to obtain detailed knowledge of, e.g., the flow behavior of a fluid around
or in individual components. One such example (as representative of others) is
detailed below—it is based on a finned tube (see Sect. 2.4.1).
4.7 Simulating the Fluid Flow Around a Finned Tube 439
Fig. 4.74 Flow structure in the lower part of the riser of the laboratory fluidized bed system
Computational
domain
Circular
segmented
U-fin
Periodic
boundary
condition
z
Symmetry boundary condition
Fig. 4.75 y-z view of the computational domain for the circular segmented U-fin (Hofmann 2009)
Computational domain
Fig. 4.76 x-y view of the computational domain for the circular segmented U-fin with dr D da C
2Hr (Hofmann 2009)
The boundary conditions used for the numerical simulation can also be seen in
Figs. 4.75 and 4.76. A uniform flow distribution with only one x-component greater
than zero for the rate of the flue gas at the inlet of the computational domain was
assumed. The fluid flow inside the finned tube was not calculated. A heat transfer
coefficient of ˛in D 3860 W/m2 K and an average temperature of T f D 330 K was
specified as a boundary condition.
Several velocity and temperature distribution results from the work of Hofmann
(2009) are briefly presented below.
Figure 4.77 shows the velocity distribution between the segmented circular U-
fins in the plane of symmetry. For the numerical simulation, the inlet velocity of the
flue gas into the computational domain was win 13 m/s. This corresponds to a
4.7 Simulating the Fluid Flow Around a Finned Tube 441
Fig. 4.77 Local velocity distribution between the circular segmented U-fins (win 13 m/s, Re
37000) (Hofmann 2009)
Z
X Y
360.2 375.3 390.4 405.5 420.6 435.7 450.8 465.9 481.0 [K]
Fig. 4.78 Local temperature distribution in the fins and between the circular segmented U-fins
(win 13 m/s, Re 37000) (Hofmann 2009)
Reynolds number Re of 37000. The medium itself flows in the direction of the
positive x-coordinate. The image illustrates the local velocity distribution of the flue
gas between the fins of the analyzed finned tube, based on velocity vectors. As can
be seen from the image, a turbulent boundary layer starts to build up on the fin tip.
The rate of flow of the fluid decreases in the direction of the fin base.
Figure 4.78 shows the local temperature distribution in the fin tube and that of the
flow medium between the circular, segmented U-fins. The temperature distribution
was calculated under the same boundary conditions as the velocity distribution
shown in Fig. 4.77. Due to the high velocity of the fluid, an extremely homogeneous
formation of the temperature field occurs between the fins. In contrast, a larger
temperature gradient is formed in the fins of the finned tube—here the highest
temperature is at the fin tip.
The local temperature distribution on the fin surface of the circular segmented U-
finned tube can be seen in Fig. 4.79. The fluid also flowed in this simulation in the
442 4 Simulation of firing and gas flow
Z X
355.0 367.5 380.0 392.5 405.0 417.5 430.0 442.5 455.0 [K]
Fig. 4.79 Local temperature distribution on the fin surface in K (win 10 m/s, Re 29400)
(Hofmann 2009)
direction of the positive x-coordinate. In contrast to the two images (4.77 and 4.78)
shown above, however, inlet velocity into the computational domain was win
10 m/s, corresponding to a Reynolds number of Re 29400. As can be seen in
Fig. 4.79, the area with the highest surface temperature is located at the narrowest
point between the two finned tubes. This area is also the zone with the narrowest
cross-sectional flow for the fluid. Due to the fluid’s high rate of flow, a strongly
developed temperature gradient is formed at the front inflow area of the tube.
More results for flow simulation around a finned tube can be found in Hofmann
(2009), Hofmann and Walter (2012a), Hofmann and Walter (2012b), and Hofmann
and Walter (2012c).
4.8.1 Introduction
If the gas is located in oblong ducts or pipes, we distinguish between two cases of
natural frequency.
444 4 Simulation of firing and gas flow
Calculating the natural frequency of the gas column in the case of a duct which
is open at only one end, we use
2n C 1 c
fn D I n D 0; 1; 2; 3; : : : (4.197)
2 l
And the following is used for a duct which is closed or open at both ends:
n c
fn D I n D 1; 2; 3; : : : (4.198)
2 l
The duct that is open at both ends has ambient pressure at the ends—but in
contrast, the duct which is closed at both ends has maximum sonic pressure at the
closed ends.
In a closed cuboid the possible natural frequencies can be calculated with:
" 2 2 2 # 12
c n1 n2 n3
fn1 ;n2 ;n3 D C I n D 1; 2; 3 (4.199)
2 l1 l2 l3
Chen analyzed oscillations that occurred in several plants—his results can be found
in Chen (1971) and Chen (1979). In a 125-MW oil-fired steam generator, the effects
of a flue gas oscillation excited by the oscillating vibration and/or fluttering of the
flame were noticed as far as the air preheater zone. The frequency on that occasion
was 5–6 Hz, quite accurately matching the natural frequency of the 2nd order of the
gas column, which was itself around 90 m long.
Design changes made to the burner stabilized the flame and the oscillation was
eliminated.
In a further example Chen describes a gas oscillation—caused by a natural
oscillation in the oil feed line—that was perceptible throughout the entire steam
generator. In this case, the frequency of around 13 Hz again matched the fundamen-
tal frequency of the gas column. This oscillation problem was solved by installing
an expansion tank in the oil line.
The final example of low-frequency oscillations is the case involving a tower
boiler with an installed stack (Leikert 1976).
Here an oscillation of approx. 6 Hz was observed throughout the entire flue gas
duct. The cause of this oscillation was found by regarding the steam generator
as a Helmholtz resonator and a remedy was found in the form of optimization
work on the gas nozzles. Low-frequency vibrations can have extremely unpleasant
consequences; the combustion chamber wall construction also has low natural
frequencies, so a resonance with the oscillation of the gas column is entirely
possible.
Higher-frequency oscillations in combustion chambers with frequencies up to
and exceeding 120 Hz are usually caused by disturbances in the fuel-air mixture flow
at or near the burner. In Chen (1971) and Chen (1979), Chen described oscillations
in an oil-fired steam generator with three swirl burners. The frequency of the gas
oscillation was around 90 Hz—it disappeared immediately, however, when a burner
was decommissioned. And when the direction of twist on a lower burner was
changed, the oscillation did not disappear completely, but the initial high pressure
amplitude of more than 90 mbar was considerably reduced.
The work of Oppenberg (1977) contains a detailed compilation of practical
examples and one of these was the oscillation problem in a prismatic combustion
chamber, which was closed on almost all sides. The full range of possible natural
frequencies, i.e., from 40 to 160 Hz in all three directions was detected in this
chamber. The pressure amplitudes reached as high as 20 mbar, depending on the
operating type (the number of burners) and the load (see Fig. 4.80).
The changes to the burners described here are a typical example of corrective
measures for oil and gas-fired plants with swirl burners. In the above case, the
following modifications were made:
- modification of combustible gas nozzles to improve the ignition (20 measures);
- installation of throttling orifices in the gas lances to prevent the natural frequen-
cies of the lances from occurring;
446 4 Simulation of firing and gas flow
2250
Burner
130 Hz
40.47 Hz
Burner
5 95 Hz 6
95 Hz
7200
3 4
6700
75 Hz
155-160 Hz
52.58 Hz
105 Hz
120 Hz
1 2
9000 1575
Fig. 4.80 Steam generator with six vortex burners (Oppenberg 1977)
The following phenomena may lead to pressure oscillations in tube bundle heating
surfaces:
- vortex shedding
- acoustic oscillations
- self-excited oscillations in tubes.
The latter can be coupled with the first two.
4.8 Oscillations in the Air Flow and Flue Gas Flow 447
Vortex Shedding
At the beginning of the last century, Benard and von Karman found that the shedding
of periodic vortices occurs in the dead water zone of a pipe. The frequency (Karman
vortex street) of the shedding vortex of a single pipe can be expressed as a function
of the flow velocity and the outer diameter da as follows:
fda
SD (4.202)
w
The dimensionless variable S is known as the Strouhal number and is dependent
on the Reynolds number Re (Fig. 4.81). In the region of 300 Re 105 , the
Strouhal number is practically constant and amounts to almost exactly 0.21. The
Strouhal numbers of individual bodies were also measured for non-circular cross-
sections and expressed as a function of the Re number (Blevins 1990).
Vortex shedding also takes place in tube bundles. If the tube pitches are relatively
small, the Strouhal numbers differ significantly from the values of the individual
tube.
Chen (1968) presented the diagrams shown in Figs. 4.82 and 4.83, based on his
own experiments and those of other researchers. Figure 4.82 shows the dependence
of the Strouhal number on the tube bundle geometry for an in-line tube arrangement
with plain tubes.
The Strouhal number for a staggered tube arrangement can be seen in Fig. 4.83.
Further information is available for this tube arrangement, for both plain and finned
tubes.
Compared to staggered tube arrangements, only very few experimental results
exist for in-line tube arrangements with finned tubes. In Mayr et al. (1975), Mayr,
basing his findings on several experimental results, recommends determining the
0.47
0.4
Strouhal number [-]
Smooth surface
0.3
Scatter range
Gray area
0.2
Rough surface
0.1
0.0
40 102 103 104 105 106 107
Reynolds number [-]
Fig. 4.81 Strouhal number as a function of the Reynolds number for the individual cylinder.
Measurement results of several authors (Blevins 1990)
448 4 Simulation of firing and gas flow
w tq
.25
=1
tl
5
1.
0.4 da
= l
tl
l= da
0
2.
=l
Strouhal number [-]
0.3
.5
=2
l
0.2 l=
3÷
0.1
0.0
1 2 3 4
Transverse spacing ratio q = t q /da [-]
Fig. 4.82 Strouhal number in tube bundles for in-line tube arrangement (Chen 1968)
1
dref D Œ.t sr / da C sr dr (4.203)
t
In this case the details for plain tubes can be used for the finned tubes. These
include: da the base tube diameter, dr the diameter of the fin, t the fin pitch, and sr
the fin thickness.
w tq
ξ l = 2.63 tl
0.4
Strouhal number [-] da
0.3
ξ l = 3.94
ξ l = 5.25
0.2
ξ l = 7.9
Plain tube
0.1 Finned tube
0.0
1 2 3 4
Transverse spacing ratio ξ q = t q /da [-]
Fig. 4.83 Strouhal number in tube bundles for staggered tube arrangement (Chen 1968)
is then
n
fn D cbundle I where n D 1; 2; 3; 4; : : : (4.204)
2B
expresses the number of half-waves over the duct width B (Fig. 4.85).
Since the speed of sound cbundle in tube bundles is somewhat reduced by the
tubes themselves (Blevins 1990), the speed of sound c determined for the fluid at
the relevant temperature must be corrected by the factor Vo 1.
c
cbundle D 1
(4.205)
.1 C Vo / 2
Vo is the ratio of the volume occupied by the tube bundle to the volume of the
empty duct, thus representing a kind of porosity.
450 4 Simulation of firing and gas flow
Flow direction
Flow direction
da
l
tl
tq
Sound wave
1/2 Wave
Displacement
mode
1/2 Wave
Pressure mode
Full wave
Displacement
mode
Full wave
Pressure mode
1 1/2 Waves
Displacement
mode
2Waves
0 20 40 60 80 100
Duct width [%]
The frequency of the vortices shed by the tubes can be calculated using the Strouhal
number S (Figs. 4.82 and 4.83).
w
f DS (4.206)
da
4.8 Oscillations in the Air Flow and Flue Gas Flow 451
where 2000, coupling of the gas column oscillation and of the vortex
shedding is suppressed.
Frequency [Hz]
2. Harmonic
(Full-wave) f2
1. Harmonic
(Half-wave) f1
p w
f=Sw
da
B
0 50 100
Load [%]
Fig. 4.86 Vortex frequency f and frequency of the gas column oscillation in a duct with tube
bundles
452 4 Simulation of firing and gas flow
Yet another phenomenon can be observed with regard to the oscillation problem
in tube bundles.
Figure 4.87 again shows the curve of the vortex frequency f and the frequencies
of the possible acoustic oscillation of the gas column in the tube bundle of a steam
generator as a function of the load.
No 1st harmonic (half-wave) was apparent here, although a resonance would have
been detected at around 32 %—the half-wave had obviously been suppressed by the
damping of the gas column oscillation. When the load is further increased, a full
standing wave with the frequency of f2 is created at around 60 %. Under certain
conditions, vortex shedding may be controlled by the gas column oscillation. In a
more or less wide load range, vortex shedding occurs with the frequency of the
gas column oscillation—this leads to the so-called lock-in. If the load is further
increased, the resonance is broken and a new resonance may occur with the next
higher harmonic (the 1 1=2 wave in this case).
A criterion for this unstable behavior of vortex shedding caused by the sound
wave is given by Blevins (1990). If the sound pressure exceeds 140 dB when
resonance occurs, a “lock-in” may occur.
Acoustic oscillations created by vortex shedding do not simply cause unaccept-
able levels of noise, they can also lead to considerable mechanical damage—so it is
necessary to prevent resonance between the vortex shedding and the gas column
oscillation. A long-proven method here is the installation of “noise suppression
Frequency [Hz]
3. Harmonic f3
2. Harmonic f2
1. Harmonic
f1 f=Sw
da
0 32 50 60 88 100
Load [%]
Fig. 4.87 Vortex frequency f and frequency of the gas column oscillation in a duct with tube
bundles—lock in
4.8 Oscillations in the Air Flow and Flue Gas Flow 453
plates”; these divide the heat exchanger into subducts in such a way that resonance
is prevented in all the subducts.
If we consider the example of the tube bundle heat exchanger with two tube
bundles (shown schematically in Fig. 4.86) and we assume that relationships exist
(as regards the frequencies) as shown in Fig. 4.86, then a half-wave may form at
partial load and a full-wave near the full load.
The half-wave must be suppressed by a separating plate. If the separating plate
is positioned in the center, a half-wave could still form (at a frequency of f2 ) in
each subduct with a width of B=2. With the separating plate arranged off-center, a
subduct with a width of Bpart > l=2 is created and a half-wave with a frequency of
between f1 and f2 could consequently form. The creation of standing waves—i.e.,
the resonance between the vortex shedding and gas column oscillation—can only
be prevented in this case by using two noise suppression plates.
Figure 4.88 shows one possible arrangement of these separating plates. The
plates should be arranged at intervals which are as irregular as possible. If
continuous sheeting is not possible, the noise suppression plates must extend about
500 mm into the intermediate gaps between the tube bundles.
If several tube bundles have varying arrangements and different tube diameters,
the necessary number of plates must be individually determined for each bundle.
When resonance occurs, the vortex frequency can be moved both up and down,
so a safety distance of at least 20 % (between the frequencies of f and fn ) should
therefore be observed when arranging noise suppression plates in the subducts.
B
454 4 Simulation of firing and gas flow
In the above observations, it was assumed that the individual tubes in a tube bundle
do not execute any significant oscillations. In principle, however, it is likely that a
fluid flowing around tubes or pipes can make them swing in oval trajectories. The
movement of the tubes then causes the flow field to change, altering the fluid forces
acting on the tube. If the energy applied by the fluid forces is greater than the energy
consumed by damping, this can lead to instability of the tube oscillation. The tube
will then start oscillating heavily, possibly causing damage within a very short time.
If the velocity w in the gap between the tubes reaches the critical value wcrit ,
there is a risk that tubes in the bundle could evince an unstable oscillatory behavior.
According to ASME (1998), the critical velocity can be determined as follows:
wcrit mR 2R a
Db (4.208)
fR da %da2
here
fR = natural frequency of the tube in Hertz (usually the lowest order);
R = damping factor of the tubes; as per Blevins (1990), a value of 0.008 to 0.002
can be set for a low-pressure gaseous fluid, where the lowest values represent a
rigidly bearing of the tubes and the higher values a non-rigidly bearing of the
tubes;
mR = mass per unit of length of the tube, including any additional mass such as
fins and a portion of the entrained fluid mass (added mass); the latter is almost
insignificant in gaseous fluids and can be assumed to possess approximately 2/3
of the tube volume.
The coefficient b and the exponent a were determined experimentally. In ASME
(1998), b D 4 and a D 0:5 are proposed as conservative values.
In Fig. 4.89, the dimensionless critical velocity is plotted as a function of
the dimensionless mass damping coefficient. The plotted points represent the
experimental results for different tube arrangements.
The actual tube arrangement, whether in-line, staggered or otherwise, does not
unduly influence the critical velocity. The natural frequency fR must be determined
for the bending velocity for a particular tube dimension and the corresponding
positioning of the tube:
12
EJ
fR D ai (4.209)
mR l4R
Here ai expresses a coefficient that corresponds to the tube positioning and the
harmonic number of the bending vibration, mR the mass per unit length of the tube
plus any added mass, lR the free length of tubing, and J the axial moment of inertia
for the tube cross-section.
4.8 Oscillations in the Air Flow and Flue Gas Flow 455
102
Average values
Recommended
Unstable
Flow velocity w/(f da )
101
Stable
100
10-1 100 101 102 103
Attenuation coefficient 2m /( da2 )
Fig. 4.89 Stability diagram (the plotted points are measurement results for different tube arrange-
ments, (ASME 1998))
The problem of instability in tube bundles is very rare with horizontally arranged
tubes in gaseous fluids. The bearing of horizontal tubes must be done at relatively
short intervals to keep the deflection within limits. This problem does not exist with
vertical tubes. Tube lengths of up to 20 m are used nowadays in heat recovery boilers
arranged behind gas turbines and two-drum steam generators. In such cases, the
critical velocity may well be of the same order as the gas velocity occurring in such
plants, since the natural frequency of the tube bending oscillation is a function of
1=l2R .
Appropriate design measures must therefore be taken to ensure that when the
natural frequency of the tubes is increased, the critical flue gas velocity wcrit is
significantly higher than the maximum exhaust gas velocity during operation.
Figure 4.90 shows a typical tube instability reduction measure. The free tube
length is halved by means of an additional tube support, thus substantially increasing
the natural frequency of the tube. The problem of tube instability is much more
significant in fluids with far greater density (water, two-phase mixtures, etc.) than it
is in gases. More information on this can be found in Blevins (1990), at the end of
which comprehensive reading lists have been compiled.
456 4 Simulation of firing and gas flow
Steam
Cyclone
Upper drum
Cyclone box
Feed water
lR /2
lR
Additional tube
support structure
Flue gas
lR /2
Lower drum
The exhaust gases from furnaces were originally sucked off through the stack. With
small stack cross-sections, insufficient stack heights and increased pressure losses
in air preheaters, burners, heating surfaces, exhaust gas cleaning equipment (dust
filter, DeSOx - and DeNOx systems), etc., there is not enough stack draft to push the
air or exhaust gas through the facility.
Oil and gas firing can be designed in flue gas-proof manner and a forced-draft fan
is sufficient to push the air and the exhaust gases through the plant to the stack outlet.
Plants that are fired with coal or, more generally, with solids (such as garbage) do
not operate in flue gas-proof manner, mainly because of the ash removal and partly
because of the burners. So an induced draught fan is used in addition to the forced-
air fan—and this creates a slight negative pressure in the combustion chamber. And
there may also be other fans in the flue gas duct if there is a serious pressure loss in
the exhaust gas purification equipment.
If the furnace fails, this creates negative pressure in the combustion chamber—
and this pressure may even lead to total destruction (implosion), either by stopping
4.8 Oscillations in the Air Flow and Flue Gas Flow 457
the flow (which would in itself suffice) or by superimposing the behavior of the
induced draught fan (assuming that one exists) on the actual stoppage procedure:
• The speed at which the fire (which itself has led to a considerable increase
in volume of the air-fuel flow) is extinguished at “Emergency shutdown”—as
a result of the sudden fuel supply shutdown through valves (in gas- or oil-
fired furnaces) and damper (in pulverized coal furnaces)—depends on the fuel
inventory of the combustion chamber. Extinguishing occurs very quickly in the
case of gas or oil firing, somewhat slower in pulverized coal firing and extremely
slow in grate or fluidized bed furnaces. An abrupt stoppage of a gas flow leads at
most to an overpressure (before the shut-off device) and negative pressure (after
the shut-off device) of
p D %wc (4.210)
Coal is a fossil fuel and differs from one mining region to another. Both the organic
and the inorganic (mineral) composition vary in the coals of various coalfields.
In principle, these facts also apply to biomass. The fraction of the incombustible
mineral components that accumulate as ash lies somewhere between 5 and 35 %
and even more. Ash characteristics have a significant influence on slagging and
consequently on the design of combustion chambers, because slagging severely
affects heat transfer, endangering the operation of the steam generator—so the
reduction or prevention of slagging in combustion chambers is of great economic
importance. Even today it is still difficult to predict the amount of slagging which
may occur in a new steam generator, or in one designed for one particular type
of coal, but which has to be converted to burn a different type of coal. And this
still holds true, even though studies have been carried out all over the world for
years now in numerous attempts to solve the problems ranging from changes in
mineral materials during coal combustion to slagging in combustion chambers—
see Rost and Ney (1956), Gumz et al. (1958), Kirsch (1965), Reichelt and Groß
(1966), Beising et al. (1972), Förtland (1958), Wall et al. (1965), Singer (1981),
Dunken (1981), Kautz and Zelkowski (1984), Huffman et al. (1981), Haynes and
Neville (1982), Brostow and Macip (1983), Bryers and Walchuk (1984), Koch
and Janke (1984), Raask (1985), ten Brink (1987), ten Brink et al. (1992a), ten
Brink et al. (1992b), ten Brink et al. (1992c), ten Brink et al. (1993a), ten Brink
et al. (1993b), ten Brink et al. (1994), ten Brink et al. (1997), Srinivasachar
et al. (1989a), Srinivasachar et al. (1990b), Srinivasachar et al. (1990a), Helble
et al. (1990), Frenzel et al. (1988), Srinivasachar and Boni (1989b), Winegartner
and Rhodes (1975), Brown (1986), Koschack (1998), Altman (1988), Wilemski
et al. (1991), Nash (1985), Boni et al. (1989). The results up until now, however,
have been generally empirical—and the knowledge about the slagging formation
processes—knowledge that would enable us to predict how slagging would occur in
changed conditions—is simply not available.
The most commonly used method for determining the slagging tendency of ashes is
oxidic ash analysis. The properties of slag and fly ash in real combustion chambers,
however, differ significantly from those of ashes produced in the laboratory. And
the analysis does not show which ash constituents are derived from which minerals,
e.g., whether the SiO2 comes from quartz or clay. In the furnace, however, these two
minerals behave differently. It is therefore very questionable if the oxidic analysis
of the ash obtained in a laboratory can be effectively applied to real combustion
chambers. There are two ways to predict slagging tendency on the basis of oxidic
ash analyses:
– One commonly used option is the use of relationships and characteristics
(indicators, factors, and indices), of which there are more than 30. Only one index
containing the ratio of the key elements of an oxidic ash analysis is used to assess
the slagging tendency. Brösdorf (2000) gives an overview of 34 such indicators
and the inconsistency of their statements. This inconsistency is not surprising
when we use the -theorem as per Buckingham (1914), Wetzlers (1985) (or the
dimensional analysis according to Pawlowski (1971)) to determine the number
of dimensionless parameters (that describe the system) from the number of
influencing variables minus the number of basic dimensions. Even disregarding
many influences, this results in substantially more than one parameter—meaning
that the statement can only be correct if the non-addressed parameters are equal.
– The other option of assessing slagging tendency by means of the oxidic ash
analysis is the use of phase diagrams (PDs) (Levin et al. 1964, 1975). These are
often created in the form of a three-phase triangle diagram. Numerous analyses
have shown that SiO2 and Al2 O3 often make up more than 2/3 of all the oxides
present in the ash. The third most common component of the ash in European
and South African coals is Fe2 O3 . This is why we very often find this as a third
component in the PD. A high SiO2 and Al2 O3 content in ash indicates a high
viscosity of the slag and a high melting temperature. A high Fe2 O3 content is the
5.1 Slagging and Fouling Indicators and Other Simple Prediction Procedures 461
Fe 2
3
2O
O3
Al 2
Fe 2
l
Al 2
3
2+ A
2O
2
+F
SiO
2
SiO
O3
O3
O3
Al
SiO
eO
Zinzen Altmann Scheier Rankin
reason for low viscosity and a low melting point of the slag. Minerals with CaO
have the same effect as Fe2 O3 , although it is not as pronounced. The slagging
tendency increases as the characteristic point for the ash is shifted in the direction
of CaO and/or Fe2 O3 in the phase diagram. A rating like this mainly indicates
a trend, but it is not precise enough to determine the process of slagging in coal
combustion in the furnace. Some of the main ternary diagrams for determining
slagging tendency are summarized in Fig. 5.1.
minerals in the combustion chamber nor the burner and combustion chamber
dimensions. So it is not surprising that these methods only provide coarse and
often inaccurate statements about the risk of slagging, etc., neither do they allow
the derivation of any methods for the design of burners and combustion chambers.
Some research methods applied in the fields of physical chemistry, technical
physics, mineralogy, and metallurgy have proven to be very useful in investigating
the conversion of coal minerals to ash and slag accretions. Božić (2002) provides
a list of such methods, like TGA/DTA, X-ray powder diffractometry (XRD),
Moessbauer spectroscopy, and others. In combination with mathematical modeling
methods, these studies enable an assessment of slagging tendency. Both the coal
minerals and burner and combustion chamber geometries flow into this assessment,
enabling conclusions to be drawn about the influence of these parameters.
The knowledge of the distribution of the minerals in the raw coal represents the
starting information needed for the simulation of the mineral matter transformation
using CFD. The combination of oxide analysis and qualitative investigation of raw
minerals contained in coal makes it possible to reflect the actual mineral content to
a good approximation by balancing the atomic elements of oxide analysis and raw
minerals. The origin of this approach emanates from the earth sciences where the
knowledge of the mineral composition is essential for the classification of rock or
for the investigation of rock-forming processes. The efforts to develop alternative
methods for determining the mineral fractions were therefore much more intense
research in mineralogy and petrology than in the coal science. There numerical
methods have been developed that are based on the setting up and solving of
equation systems in which quantitative elemental analyses were combined with
qualitative mineral analyses and further assumptions. Examples are represented
by the calculation approaches of Klika et al. (1988), Paktunc (1998), Rosen and
Abbyasov (2003), or Posch and Kurz (2007). The following mathematical procedure
was developed based on these approaches.
The distribution of oxides Yioxide determined from the oxide analysis is essentially
required where is:
X
n
Yioxide D 1 (5.1)
iD1
The oxides each consist of the mass fraction of the characteristic element
iE;oxide
and the oxygen content
iO2;oxide :
iE;oxide C
iO2;oxide D 1 (5.2)
5.1 Slagging and Fouling Indicators and Other Simple Prediction Procedures 463
Table 5.1 shows the elements determined in an oxide analysis. For the further
calculation, it is necessary to determine the fraction of the characteristic element in
the oxide analysis:
YiE;oxide D
iE;oxide Yioxide (5.3)
In addition to the oxide analysis the minerals contained in the raw coal (raw
minerals) must be known to calculate the mineral content YjMin . In a number of m
minerals the following equation applies:
X
m
YjMin D 1 (5.4)
jD1
The mass fractions of the chemical elements of the raw minerals, which appear
as characteristic minerals in the oxide analysis, must also be determined. The
proportion of an element i in raw mineral j can be calculated according:
mEi
i;jE;Min D (5.5)
mMin
j
where mMin
j is the overall mass of the raw mineral j. The mass fraction can be
calculated from the empirical formula of the mineral and the atomic masses of the
chemical elements.
It should be noted that the raw minerals may include further chemical elements
that are not formed in the oxide analysis. These are mainly hydrogen and carbon.
A calculation of their contents is not necessary for the determination of the raw
mineral fractions.
464 5 Mineral Matter Transformation in Furnaces
As the oxides will be directly built from the raw minerals each element of raw
minerals can be directly assigned to the corresponding element of the oxide analysis.
For m raw minerals the correspondent oxide can be calculated by:
m
X
YiE;oxid D
i;jE;Min YjMin (5.6)
jD1
For n elements of the oxide analysis this results in the following system of
equations from which the raw mineral fractions can be determined:
Y1E;Oxide D
1;1
E;Min
Y1Min C
1;2
E;Min
Y2Min C : : : C
1;m
E;Min
YmMin
::
:
E;Min E;Min
YnE;Oxide D
n;1 Y1Min C
n;2 Y2Min C : : : C
n;m
E;Min
YmMin (5.7)
For an unequal number of chemical elements in the raw minerals and in the
oxide analysis an under- or over-determined system of equations appears that has
to be converted into an identifiable system of equations by further inputs. This can
be achieved by addition of other minerals (over-determined system of equations), or
by specifications for single raw minerals (under-determined system of equations).
To determine the calculation error, the specific raw mineral distribution will be
converted into the equivalent oxide analysis again and will be compared to the
measured oxide analysis. A detailed description of this approach is given in Strelow
(2013).
For the simulation of coal combustion, the portion of mineral matter in the coal
must be specified as a boundary condition. The specification is usually based on
the determination of the ash content in coal according to standard DIN 51719. The
coal is oxidized at temperatures up to 815 ı C under an air atmosphere. Under this
condition much of the minerals have already completed a conversion processes. For
example, the release of crystallization water or the decomposition of carbonates
with release of CO2 leads to a weight reduction of the overall weight of mineral
matter. On the other side also an increasing of weight can occur, for example, in the
presence of wustite which will oxidate to hematite
So the ash content will not correctly reflect the content of raw minerals in the
coal. The over- or underestimation of the ash content has a direct impact on the
amount of combustible substances in the coal and thus has an influence on the
simulation, not only on the mass/species balance but also on the energy balance.
5.1 Slagging and Fouling Indicators and Other Simple Prediction Procedures 465
Under the assumption that the ash produced according to (DIN 51719 1997) only
consists of oxides, the overall raw mineral fraction of the coal YMIN can be calculated
as follows based on the ash content A (determined according to DIN 51719) and
the content of the characteristic elements of the oxide analysis and raw minerals
described above:
0 0 111
X
m
E;Min
B n B Yi;j CC
BX B jD1 CC
B B CC
YMIN D YA B B E;oxide CC (5.8)
B B CC
@ iD1 @
i AA
where
E;Min
Yi;j D
i;jE;Min YjMin (5.9)
and
iE;oxide according to Eq. (5.2).
Although sulphatic minerals such as anhydrite have not yet decomposed at an
ashing temperature of 815 ı C, this has no influences on the result, since the sulfur
content will be converted to the SO3 -fraction of the oxide analysis and is thus
considered for conversion to total mineral substance.
Example of Use
Table 5.2 shows the results of ultimate, proximate, and oxide analysis of an Amer-
ican bituminous coal (Pittsburgh). In addition, the raw minerals were determined
using an automated scanning electron microscopy (CCSEM). Using of the described
calculation approach leads to the results shown in Table 5.3. Differences occur due
to different proportions of elements in the oxide analysis and the analysis CCSEM
and the non-exact solvability of the equation system.
Using equation (5.8) the overall fraction of mineral content in the raw coal is
given by
YMIN;SK D YA;SK 1:065
D 12:34 1:065
D 13:14 (5.10)
Table 5.3 CCSEM-analysis of Pittsburgh bituminous coal and calculated raw mineral content
(Scheffknecht et al. 2012; Strelow 2013)
Mass fraction in
Mineral CCSEM Calculation
Si-rich (SiO2 ) 2.8
Quartz SiO2 13.7 15.39
Montmorillonite .Na0:75 Ca0:25 /0:33 .Al0:75 ; Mg0:25 /2 2.9 5.13
Œ.OH/2 Si4 O10 4H2 O
Kaolinite Al4 Si4 O10 .OH/8 33.8 35.92
K-Al-Silicate KAl2 Œ..OH/0:75 F0:25 /2 jAlSi3 O10 22.0 15.39
(Muscovite) .Mg0:3 Fe0:6 Al0:1 /6 .Si0:75 Al0:25 /4 0.8 6.16
Fe-Al-Silicate
(Chlorid) O10 .OH/8
Pyrite FeS2 2.5 0.51
Others 3.6
Not classified 17.9 20.68
Sum 100 100
5.2 Overview of Simulation Models for Combustion Chamber Slagging 467
The simulation models can be divided into two groups, depending on the nature of
the mathematical algorithms used:
– Simulation models that use approximated algebraic expressions or multi-
parameter correlation analyses
– Simulation models that use discrete methods like finite differences (FDM), finite
volumes (FVM), finite elements (FEM), etc., to solve mass, material, momentum,
and energy balances (including transport, physical and chemical transformations,
etc.) and are similar to those used in the aerospace, turbo-engine, piston engine,
automotive, and process engineering industries, where they are termed CFD or
Computational Fluid Dynamics models.
Programs from the fields of physical chemistry, technical physics, geochemistry,
mineralogy, and metallurgy are both interesting and important—they are not,
however, directly applicable. The phenomenon of slagging encroaches on every one
of these fields.
One typical representative of this model group is the BASIC program. Altman
(1988) incorporated the most important research results and experiences of numer-
ous scientists into this program. It is designed for practical users who have no
detailed IT knowledge. Altmann implemented this program using new statistical
methods; the system combines the specific characteristics of different types of
combustion chambers with the coal and ash particle characteristics. For each type of
combustion chamber, the program calculates whether or not it is optimally designed
with regard to coal combustion—and an assessment of slagging tendency is carried
out. The results provided by BASIC are the most acceptable that could be attained
in the 1980s—at the same time, however, the calculation method also reveals the
program’s limits. If we use characteristic indicators, factors, and indices for a whole
range of thermal and chemical properties, we only obtain averages; no detailed
results about slagging can be expected. And it is also possible that the wrong
conclusions will be drawn if the values of the combustion chamber, burner geometry,
mode of operation, or coal deviate too much from previous empirical values. The
program is well-tailored to the characteristics of brown coal from Eastern Germany.
The computer program DEPOSIT (Frenzel et al. 1988) uses a multi-parameter
correlation analysis based on experimental data to determine the relationship
between combustion chamber conditions, ash composition, and slagging tendency.
The program determines typical slagging indicators, evaluates the results, and
468 5 Mineral Matter Transformation in Furnaces
provides a graphical analysis. The limits of this program are rooted in its experi-
mental basis; it would have to be extended to enable the results to be transferred to
other plant and coal types. The current DEPOSIT version can only predict trends.
The PARTICLE program (Nusser 1985) attempts to classify the slagging process
by observing a glowing ash particle of 100 m diameter moving through the flue gas
boundary layer right up to the combustion chamber surface. With the Runge–Kutta
method the heat balance for this ash particle is solved. A balance like this is created
(and the temperature calculated) for each different trajectory of the ash particle in
the vicinity of the combustion chamber walls. PARTICLE’s solution possibilities lie
between the above model types, so no detailed results on the slagging process can
be expected from this program either. A number of similar programs that emerged
in the 1980s corresponded to the then state of development in the field, but they do
not deliver satisfactory results for today’s requirements.
With simulation models that use the FDM, FVM, or FEM methods, it is basically
possible to simulate the slagging process for the planned or actual geometry of the
combustion chamber.
A large number of commercial programs suitable for the simulation of power sta-
tion combustion chambers did emerge on the international stage, although some of
these have meanwhile disappeared from the market. Frequently used packages based
on the finite volume method (FVM) are: ANSYS-FLUENT, PHOENICS, STAR
CD, TRIO-3D, FLOW-3D, FIRE, FASTEST, TASCflow, BANFF, GLACIER, and
the public domain programs OPENFOAM with PARAVIEW as a post-processing
program and SATURNE. OPENFOAM does not, however, contain any burn-up
and/or mineral matter transformation models. FEM-based software packages such
as FLOTRAN, N3S, ESTET, and FIDAP are also available on the market. These are
well suited for the calculation of material strength analyses and heat transfer, but less
suited to problems that are associated with combustion processes. Some of these
like ANSYS-FLUENT, ANSYS-CFX, and STAR CD are focused on combustion
and power station engineering and are used in several university institutes and
throughout the industry in Germany.
In contrast, four technical universities have developed their own specialized
programs for power station combustion chambers:
– FLOREAN at the Technical University of Braunschweig (Institute of Energy
and Process Systems Engineering), (Müller 1992), (Müller 1994), (Leithner
and Müller 1987), (Leithner and Müller 1991b), (Vonderbank 1994), (Vockrodt
1994), (Schiller 1999), (Fischer 1998), and (Päuker 2001)
– LORA at the Ruhr University in Bochum (Institute of Energy Systems and
Energy Process Engineering) (Kremer et al. 1998)
5.2 Overview of Simulation Models for Combustion Chamber Slagging 469
The reaction kinetics of pyrite decomposition are also integrated into the
program, as part of a technical study carried out in collaboration with the “University
of Utah,” USA. The formation of deposits of the pyrite decomposition products and
their influence on the corrosion process in a combustion chamber were calculated
and validated.
However, these programs lack the detailed, transient conversion of all the
minerals involved—and this conversion is often insufficiently described through the
equilibrium state. In addition, the description of wall adhesion and the processes in
the slag layer on the wall are either totally missing, or only some of these aspects
have been realized.
Raw coal is formed as natural matter from plant residues. With a view to com-
bustion, we can divide the substance of the coal into combustible and inert matter
(water, inorganic matter). In organic matter, we differ between the following
macerals:
• Hard coal: vitrinite, exinite (liptinite), inertinite (includes micrinite, semifusinite,
fusinite, sclerotonite)
• Brown coal: humite, liptinite, inertinite
and mixtures thereof. These macerals can themselves be further subdivided, but
this is irrelevant for the modeling method presented here. Water is bound in the coal
in the form of coarse and hygroscopic moisture. In raw lignite, the moisture content
can attain a weight percentage of around 60 % and up to 20 % after combined drying
and pulverizing. Inorganic material is contained in the coal in the form of mineral
grains (discrete form), amorphous phases, organically bound cations (Na, K, Mg,
Ca, St, Ba, and others) and cations that are dissolved in the water (hygroscopic
moisture) in the capillaries and pores of coal particles. In pulverized coal firing,
coal is milled and dried at the same time. Here the particle size is usually less than 1
mm. In the case of hard coal, the general rule is that the residue on the 0.09 mm sieve
should correspond to the volatile content—both in percent. The resulting, irregularly
shaped coal particles can have the following compositions (Kirsch 1965):
• mineral-free coal, which still contains submicroscopic deposits of clay minerals
• grains of one mineral type
• grains formed from the intergrowths of two or more minerals
• coal-mineral intergrowths with either one (uncommon) or several types of
minerals (common).
5.3 Modeling Mineral Matter Transformation 473
The following types of minerals are found in the coal and form its main
constituent: silicates (mainly clays), carbonates, sulfides, oxides, and phosphates.
A detailed overview of the minerals that are found in typical German hard coal and
brown coal is given in Božić (2002). Depending on when the mineral deposits of
coal have been created, we differ between:
• Detrital minerals that have been transported by wind and water during the early
stages of carbon formation. These minerals are typically bound to the carbon
substance—they contain silicates as their main component (usually clays and
quartz).
• Syngenetic minerals and inorganic components in an organic bond, formed
through carbonization and sedimentation at the same time as the coal. These
mineral structures are composed of carbonates, sulfides, and some oxides and
phosphates.
• Epigenetic minerals and inorganic components that have entered the coal after
the solidification of the coal in cracks and crevices developed later (second phase
of coal formation).
Depending on the origin of the coal, the composition and the fractions of organic
and inorganic components may differ significantly (also see Fig. 5.2). A comparison
between German hard and brown coals shows the following.
The lignite has a much larger inert fraction, especially water. Substantial fractions
(up to 70 %) of the inorganic material in brown coals are bound to the organic
coal material. The brown coals have more carbonates, sulfides/sulfates, sulfur, and
metallic elements (K, Na, Fe, etc.) which occur as cations of carboxyl groups.
Brown coals have a higher oxygen level. Organically bound inorganic cations bind
three quarters of the oxygen contained in the coal structure. Approximately a quarter
of the oxygen is directly bonded to the carboxyl groups.
Hard coals, on the other hand, have more deposited mineral grains. A comparison
of the mineral composition shows much more quartz and silicates in hard coals.
Host rock
Mined coal
(mountains)
Treated coal
Ballast Combustible
substance
Precipitated Organically-
inorganic matter Humic acids
bound
in the coal inorganic
constituents Montan acids
of coal
(Ca, Mg, Na, Al, ...) Resin acids
Minerals
Quartz
Silicates - Island and group silicates
Oxides (e.g. olivine, gehlenite)
- Chain and ring silicates
(piroxene, wollastonite)
Sulfides - Phyllosilicates
(kaolinite, muscovite, illite)
- Framework silicates
Sulfates (feldspar, leucite, zeolite)
Carbonates
Phosphates
other ...
in mass fractions Yi from educts (reactants) with Yi;E D i;E Ei and products with
Yj;P D j;P Pj :
X
n X
k
Yi;E CONVERSION ! Yj;P (5.12)
iD1 jD1
5.3 Modeling Mineral Matter Transformation 475
Sintering
Evaporation Condensation
(liquid)
Decomposition Sublimation
Dissociation
Thermodynamic modeling
For each component in the process, the temporal mass change is defined in
relation to the initial mass of all reactants. Here the following applies:
Mass fraction:
mi ./ T; "P ;
Yi D D Xi (5.13)
m0 0
Volume fraction:
Vi ./
Xi D (5.14)
V0
The general process in Eq. (5.11) can describe the conversion of different chem-
ical substances (chemical reaction) or of different physical states (e.g., vitrification)
of the same chemical substances. A general, transient conversion model can be
established in the form of Eq. (5.15), irrespective of the type of process (Tanaka
1995):
dX
D Kf .X/ (5.15)
d
476 5 Mineral Matter Transformation in Furnaces
If only data for a specific measuring range are known for the heating rate ˇt;0
(from measurements or from relevant literature)—e.g., ˇt < 100 K/s—the function
f1 .ˇt / can be estimated by means of:
ˇt
f1 .ˇt / D f1 .ˇt;0 / (5.18)
ˇt;0
During cooling below the softening temperature, i.e., if ˇt < 0, the following
applies:
For simple conversion models, the Euler (single-step method) was used (Atkin-
son et al. 1996).
dX
X. C / D X./ C (5.20)
d
The adaptive step size is determined by means of the conversion constant K
and an attenuation coefficient (this is important for the stability of the calculation):
1
D (5.21)
fDa K
In order to optimize the calculation time, is limited both upwards and
downwards.
processes can be described with a model selected from this set of equations. For
example, we can use the R3 model to describe chemical reactions in mineral
particles if the core (not yet reactive) is not porous, but its shell of products, on
the other hand, is extremely porous. In this case, the resistance to gas diffusion
is negligible. In cases of evaporation, sublimation, or dissolution, the same model
can be used, but with a different conversion coefficient K. For the description of
a heterogeneous chemical reaction, a formal kinetics model Fn of the nth order
can be used. Fn represents an equation form that is based on the analogy to the
equations for chemical reactions in the gas state. The model An for nucleation and
growth (Johnson–Mehl–Avrami–Kolmogorov type) can describe different processes
of crystallization, recrystallization, and decomposition. In the case of the D1 model,
we can describe the intergrowth of two mineral phases in one particle caused by
the diffusion of solids. The models D3-D5 describe the diffusion of solids in binary
mixtures of compressed powder (see Figs. 5.4 and 5.5).
We use the term “complex processes” when several physical and chemical
processes take place simultaneously, e.g., one of the diffusion types (gas and/or
Knudsen diffusion) and a chemical reaction. The Shrinking Core Model (SCM) is
suitable for such cases (Smooth 1993). One important prerequisite for using a model
like this is that the mineral cores (reactants) are non-porous. The mineral sheath
which contains the products can be porous. See Fig. 5.4.
C2 C2 C2
Core Core Core
C 2(g) C 2(g)
C 2(g) C2(g),r
K
C 2(g),r
C2 C2
Core Core
C 2(g) C 2(g)
C1 C2
C2 C1 C2 C1,A/B
C 2(g)
C2(g),R
C 2(g) C 2(g)
C 2(g),0 C 1(s) C 1(s) C 1(s)
C 2(g)
(s)
T melt = Constant
Crystallization Melting and dissolving C 2(g) Decomposition
If the whole particle is porous, the SCGM represents a good approximation (see
Fig. 5.5 (Uhde 1996)).
One disadvantage of the SCM and SCGM models is that in each time step along
the particle trajectory, one or more differential equations must be solved using a
robust time-step control—and that takes a lot of computational time. The Fehlberg
method (Runge–Kutta method of the fifth order) was used to solve the differential
equation of the complex models.
For some simple mineral conversion models there are also integral solutions, i.e.,
Eq. (5.3) can be integrated analytically:
dX
D K f .X/ (5.23)
d
K D g.X/ (5.24)
Z X
1
g.X/ D dX (5.25)
0 f .X/
The conversion constant can also be formed analogous to the heat transfer
coefficient as follows, for instance:
1 1 1
D C C ::: (5.26)
Keff Kchem Deff
These general rules for modeling mineral matter transformation are described in
more detail in the thesis by Bozic et al. (2000), using the example of a complex,
iron-bearing mineral system. See also Fig. 5.6.
The process flow can be described using a system of roughly 30 equations. The
reaction process must be described for each equation by an appropriate temporal law
(transient) (see Table 5.4). Appropriate conversion constants K have been obtained
from the relevant literature and from studies carried out at the IPTC, Braunschweig
Technical University. In determining the appropriate temporal laws and K values,
two different variables were used for error assessment: the sum of error squares
(SES) of the residuals as per the Levenberg–Marquardt algorithm (LMA) and the
coefficient of determination R2B . The best case scenario is R2B D 1; the worst is
R2B D 0. Good SES results provide values close to zero. In order to determine the
transition from coal minerals to slag, we must describe all the reactions by means
of sequences. Here different reaction paths are possible. Various forms of PDs can
be used to control the sequence along the reaction path. A two-dimensional PD in
pressure–temperature form (p-T) can be used to represent the p-T characteristics of
multicomponent reactions and equilibria. The curves in a diagram like this represent
a reaction or an equilibrium between different compounds. The curve for the critical
O2 pressure divides the oxidation and reduction zones of a mineral system (Božić
2002). For a decomposition process, the p-T diagram provides us with data on the
MgO M Al2O3
SiO2 M
Reducing
atmosphere M FeAl2O4
FeCO3
FexO MgFe2O4
Fe2SiO4
x
CO CO Fe FexO
CO2 Fe(I) M CO CO M
CO CaFe2O4
N2 CO
FexS(I) M
Fe2O3
Oxidizing O2 CO O2
atmosphere O2 Fe2O3
Melting FeS2 FexS M Fe3O4
Fe3O4 FeSO4 FeOOH
Reduction S2
S2 O2
Oxidation SO2
Diffusion of solids FeSO4 7H2O
x Decomposition SO
O2
Crystallization
Fig. 5.6 Mineralized solids conversion with iron content in a combustion chamber atmosphere
(Božić 2002)
482 5 Mineral Matter Transformation in Furnaces
line
Solidus
Solid (s)
YA a Y0 b YB
gas pressure level at which decomposition commences. The p-T diagrams do not,
however, address any changes in the composition of the individual phases during
the reaction—and such changes are an important feature of the slagging process.
This is why it is necessary to introduce T-Y diagrams in which the equilibrium
temperature is plotted as a function of the phase composition Y. Figure 5.7 shows
melting, solidification, and phase transition (polymorphic transitions, etc., as well
as phase transitions caused by solid matter reactions). If mineral components are
part of a melting process, the T-Y phase diagram provides us with data relating
to the onset of melting (solidus line) and the achievement of the complete melt
(liquidus line) of a mineral system. During solidification, the solidus line describes
the formation of the solid. Figure 5.7 illustrates the relationship.
During the simulation, a check is performed to ascertain the diagram zone in
which the reacting mineral system is located. A different equation is used during the
transition to another diagram zone. Numerous reaction paths are possible, because
the partial pressure of the flue gas components along a flying coal/mineral particle in
the combustion chamber constantly changes. The kinetics of other mineral systems,
such as clays, carbonates, and sulfates, can be found in the preliminary research
report AiF 10639 (Božić et al. 1998) and in the thesis by Božić (2002).
General Process Flow
During its flight through the combustion chamber, a mineral particle may change
its physical state and chemical composition several times before it leaves the
chamber or strikes a wall. The following combinations of states and processes are
possible (Fig. 5.8, s stands for solid and l for liquid):
A. Solid (s)—Heating (s)—Melting (s/l)—Melt (l) /1-2-3-4-5/
B. Solid (s)—Heating (s)—Incomplete melting (s/l)—Soft particles (s/l) /1-2-6-7/
C. Solid (s)—Heating (s)—Melting (s/l)—Melt (l)—Cooling (l)—Subcooled liq-
uid (l) /1-2-3-4-7/
D. Solid (s)—Heating (s)—Melting (s/l)—Melt (l)—Cooling (l)—Subcooled
liquid—Solidification (l/s)—Glass formation—Glass (s) /1-2-3-4-8/
5.3 Modeling Mineral Matter Transformation 483
within the context of Božić (2002). Three kinds of melt are possible for a binary
mineral system composed of the components A and B:
1. Eutectic, where the mixed components A and B are converted into the melt L.
2. Peritectic, where the solid solution of A and B is converted into the solid
component A and the melts of the materials A and B in a specific ratio.
3. Formation of two melts from solid dissolution of A and B—including the
additional melting possibilities in cases 4 and 5.
4. Monotectic, where a mineral component, e.g., A, decomposes and is converted
into two immiscible melts (e.g., water and oil).
5. Incongruent melts, where component A is decomposed, forming component B
and a melt.
One important characteristic for all these melt cases is that minerals melt at the
same time and not in succession. A partial melt may be considered as a solution
where all the solid phases of the original material are partially soluble. At a certain
pressure and a specific temperature, a partial or complete melt is formed. In case 2,
a partial melt remains until the end of the process. A complete melt is formed for
cases 1, 3, and 4 at the end of the process. In case 2, an equilibrium (meaning
a steady, solid/melt mass ratio) is only achieved after a certain period of time. In
different mineral systems, this period lies between a few milliseconds and several
days (Hummel 1984) and much longer in extreme cases.
In a state of equilibrium, the melting process can be illustrated graphically
by using the phase diagrams (usually in T-Y form). The ratio of melt to solid
phases can be calculated by applying the “lever rule.” Phase diagrams can be used
(without restrictions) for melting processes which require only a short period of
time. One example of this is the melting of a small particle of a pyrrhotite/magnetite
mixture. All other cases of application involve an approximation which becomes
more inexact for slower processes.
Applying these considerations to a burning coal particle (with mineral content),
which flies through the combustion chamber (pulverized coal combustion), we
arrive at the following conclusions:
– A coal particle does not generally contain all the mineral substances that are
found in a bulk analysis of minerals in the coal. Tests on two types of brown
coal using REM/EDX techniques (Kipp and Becker 2000a,b) have shown that
small grain sizes (under 112 m) have more than 40 % carbon content with
homogeneous mineral inclusions and approximately 70 % carbon content with
less than four mineral inclusions. Under normal combustion chamber conditions,
some mineral phases are inert and/or do not melt, or several mineral inclusions
are equal. In these cases, we can use phase diagrams for binary mixtures.
– When heated, the mineral content of a coal particle (regarded as a binary mixture)
begins to melt when the solidus line is reached in the phase diagram (see Fig. 5.7).
The melting process terminates when the liquidus line is reached. From the
slagging issues aspect, the solidus temperature corresponds to the softening
temperature. The liquidus temperature corresponds to the flow temperature.
5.3 Modeling Mineral Matter Transformation 485
When the softening temperature is reached, we must expect the particle to adhere
to the wall.
– Larger coal particles (about 300 m) possess a more heterogeneous mineral
composition. A particle contains up to 20 mineral constituents, the melting
behavior of which is difficult to record in phase diagrams. Taking the present
stage of development in this field into account, the following procedure could be
used:
1. Experimental determination of the softening temperature, melting temperature
(hemispherical temperature), and flow temperature for the type of coal in
question, as per DIN 51730 (2007).
2. Application of the values obtained in the simulation of the melting process.
In the case of transient heating or cooling (temperature transients of more than
100 K/s prevail in combustion chambers), a state of equilibrium during melting
cannot usually be attained—so unexpected effects often occur (Hummel 1984),
several of which are listed here:
1. Hysteresis phenomena occur. Solidus and liquidus lines deviate from their
positions in the steady-state phase diagram. As per thermogravimetric analysis
(TGA) and other measurement methods, differences of 1–15 ı C (at a temperature
transient of up to 99 K/min) have been measured for several substances (Kipp and
Becker 1999). These temperature variations are unknown in the vast majority
of minerals that occur as slagging components. Under these conditions, the
solidus and liquidus lines of the phase diagram are deemed to be the best-known
approximation values for the adhesion and melting temperatures.
2. In fast heating procedures, polymorphic modifications and new intermediates of
the studied minerals have been found that constitute the transition to the melting
phase.
3. At the end of a fast heating process, an incongruent melt contains more solid
phase B and less melting phase than has been observed in the associated
phase diagram. The melting phase is heterogeneous in this case and contains
concentration gradients.
The following simplifications were used for the calculations that were per-
formed:
– The total melting heat is equal to the sum of the products of the melting heat and
the mass fraction of the individual material components in the particle.
2
X
mP;compl hmelt;compl D mP;compl Yi hmelt;i (5.28)
iD1
Since the melt plus the solids mixture is always 100 %, the proportion of the
melting phase is easy to determine. Solutions for complicated cases can be found in
Levin et al. (1964), Levin et al. (1975), and Rath (1990).
– Chemical reactions are inactive during the melting process of binary mixtures
(frozen state). The error created by neglecting chemical reactions for very fast
melting processes is relatively negligible, resulting in the chemical composition
remaining constant during the melting process. The prerequisite here is that
the melting process occurs very quickly—reflecting reality in the combustion
chamber.
Processes in the Liquid State
In general, the process in a melt can be explained by chemical reaction and
diffusion. In high-temperature mineral melts, diffusion is five orders of magnitude
greater than in the solid state. The values for the cation diffusion of several mineral
substances can be found in Salamang and Scholze (1982), Angel et al. (1987),
Schmalzried (1995), and Božić (2002).
If the mixing time for the existing components is significantly lower than one
second, the diffusion of liquid components can be neglected as a determining
process. The time for complete mixing (residence time) of the components of a
spherical drop can be calculated from the following equation:
r2
V D (5.30)
Deff
A liquid droplet (formerly a particle) reacts with the ambient flue gas in the
combustion chamber. In general, we must address time-dependent gas diffusion
(pertaining to the flue gas components that determine the process), gas transfer to the
droplet surface, chemical reaction, and the diffusion in the droplet itself. A shrinking
core model adapted for liquids can be used successfully in this case.
When this model is used, unknown diffusion constants and transition coefficients
often cause problems—and these must be determined by experiments.
If the diffusion in the liquid and the resistance in the gas transfer from the
environment are negligible—but the response rate is very high—the chemical
equilibrium calculation can be applied to the process. This simplification should not
be generalized, a check should be performed for each melt type whether or not the
simplification is acceptable. If we know the resistance during ambient gas transport
to the droplet surface—and it is greater than zero—a shrinking core model should
be used as a better approximation.
5.3 Modeling Mineral Matter Transformation 487
One application example for the chemical equilibrium calculation is the descrip-
tion of the oxidation and reduction of iron oxides in the liquid state, which is shown
in Božić (2002).
Solidification Through Glass Formation and/or Crystallization
The melting and solidification temperatures for a homogeneous material are only
equal when phase transition takes place very slowly (in theory, for an infinitely long
time). In practice, however, this never occurs, since usual heating and cooling rates
in the combustion chamber lie between 100 and 10000 K/s. If particle cooling is
infinitely fast, solidification will end at the temperature T0 , described as being the
ideal transition temperature of the glass.
For a real cooling rate of the particles, the ideal transition temperature of the
glass phase Tglass lies within the range T0 < Tglass < Tmelt . Several methods are
known for calculating the temperature Tglass , but each of these lacks generality.
The “Peak Method,” a calculation procedure developed by Uhlmann (Dubey
et al. 1996), comprises a wide range of materials, including metal oxides. The
method uses a cooling curve (obtained by means of experiments) for the selected
mineral substance—the curve can be shown in a TTT diagram (time-temperature-
transformation diagram). When the cooling curve reaches a specific temperature
zone Tn (“nose temperature”), the supercooled liquid solidifies.
1.0
O2(g)
Mass fraction Y [kg/kg] H2O(g)
0.8 SO2(g)
CaO(s)
CaSO4(s)
0.6
CaSO4(H2O)2(s)
0.4
0.2
0.0
0 200 400 600 800 1000 1200 1400 1600 1800 2000 2200 2400
Temperature [°C]
dY
D KEQU (5.31)
dt
The time required for the complete conversion of the reactions EQU results
directly to:
1
EQU D (5.32)
KEQU
If it is assumed that the equilibrium reaction between two sampling points should
proceed to completion, the chosen reaction time EQU must be less than the time of
the particle trajectory between two nodes. For the reaction rate is obtained:
1
KMU;EQU D (5.33)
EQU
Particle
Process in trajectories Mineral
BS2 matter TWC
gas phase
transformation Two-Way-Coupling
of particles with/without
Combustion of combustion
BS1 particles
BS4
BS3
Particle
trajectories Mineral OWC
Process in BS2 matter One-Way-Coupling
gas/solid transformation with/without
phase of particles combustion
Combustion of
particles
BS1+BS3 BS4
BS3
Euler approach Lagrange approach BS calculation step
Fig. 5.10 Illustration of the coupling options in the calculation of mineral matter transformation
5.4 Coupling Combustion Chamber Simulation and Mineral Matter. . . 491
CO
Pure coal
rP CO2
Mineral core
492 5 Mineral Matter Transformation in Furnaces
Coal particle
– Between the still-unburned raw coal and the mineral core, no reactions occur in
the solid state. The processes are coupled to one another by the already-formed
CO and CO2 and by the still-unconsumed O2 which is present at the inner surface
of the mineral core. The concentrations of these gas components on the particle
surface differ from those in the gas environment.
– When the combustion process ends, the free mineral core is in direct contact with
the ambient flue gas.
– With the precipitation of the gas components from the mineral core, the mass
of the mineral core decreases, porosity increases, and the diameter remains
constant. Precipitates are usually formed during the dehydration of hydrates and
hydrosilicates and during the decomposition of carbonates, sulfates and oxides,
and other heterogeneous reactions. The decrease in mineral mass causes no
reaction in the particle trajectory (as per the model concept), but it does affect
the mass of the particles adhering to the wall (OWC).
– Coal particles that start at different points of the burner mouth have a different
mineral composition, which is defined using a mineral distribution model. All
coal particles that belong to the same trajectory (like a “string of pearls”) have the
same composition in the mineral core. Particles belonging to different trajectories,
but which have the same mineral composition at the starting point, have different
compositions at the end point (i.e., wall adhesion or the furnace outlet). This is
the result of different gas compositions and temperatures, or heat flows to which
the particles are exposed on their various trajectories. These unequal boundary
conditions control the processes of mineral matter transformation differently.
– Mineral matter transformation in a particle comprises different physico-chemical
processes, depending on the initial and boundary conditions. To describe each
process, we use one of 12 predefined models for mineral matter transformation
(see Table 5.4). The SCGM model is not used. The model used at the particle’s
starting point depends on the selected mineral substance, its origin, and the flue
gas properties (composition, temperature), which together determine the type
of conversion. Depending on the conditions in the combustion chamber, more
conversions occur, each of which must be calculated using a suitable model. All
models are bound to the sequences. The process ends at the point in time at which
5.4 Coupling Combustion Chamber Simulation and Mineral Matter. . . 493
the particle strikes the wall and either adheres to it or leaves the combustion
chamber. The last transformation (in wall adhesion) describes the permanent state
of the minerals (ash, slag).
However, the modeling does not include the formation of cenospheres, the frag-
mentation of the coal particles, or the sublimation, evaporation, and condensation
of the mineral substances. The model distinguishes between the formation of the
crystal and the glass states.
In two other thesis, Hoppe (2005) and Magda (2012) observed the release and
deposition of alkalis.
The distribution model used in Božić (2002) allows pure mineral phases or binary
mineral mixtures in the mineral core of a particle. According to the conceptual
model, the number of coal particles with a specific mineral phase is proportional to
its mass fraction in the coal fraction in question. At present, TRAMIK can calculate
the conversion of the mineral phases and binary mixtures shown in Table 5.7. The
starting points are distributed evenly throughout the burner cross-section. Unknown
mineral phases (which could not be clearly established by studies) have been
incorporated into the simulation as inert materials (see Table 5.10) (no conversion,
but participation in the mass balance).
The mass fractions are determined by oxide analysis and bulk mineral analyses
of coal samples. These analyses were performed using X-ray fluorescence tech-
nology (XRF), X-ray diffraction (XRD), computer-controlled scanning electron
microscopy (CCSEM), or energy dispersive X-ray spectroscopy (EDX) technolo-
gies.
For the XRD analysis, the coal sample should be prepared by cold incineration
with a plasma process. This method increases the concentration of the mineral
components in the sample and achieves a better degree of resolution during the
measurements. XRD makes it possible to determine the proportion of crystallized
mineral components in the total mineral substance. This usually amounts to between
40 and 75 %. When used in combination with CCSEM/EDX, non-crystalline
substances can also be partially determined. However, the factor of uncertainty here
lies in the fact that atoms which are lighter than oxygen cannot be identified—and
in some substances, this makes it difficult to distinguish whether it is a carbonate or
an oxide.
An oxide analysis is performed for the entire mineral substance using the RF
method. An atomic balance and a balance of the oxides can be created from
the measurement data obtained by XRD or CCREM/EDX technologies. There is
generally a difference between the oxide content of the total mineral substance and
the oxide content of the individual mineral phases (found by XRD technique). This
494 5 Mineral Matter Transformation in Furnaces
Table 5.7 Individual mineral phases and binary mixtures that may appear in the TRAMIK
simulation as an initial component in a flying coal particle
Intermediate or end Melting Glass
Mineral phasea products (solids) phases phases
No. [kg/kg total] addressed addressed addressed
1 Pyrite Pyrrhotite, Fe oxides X
2 Limonite/Fe2 O3 All Fe oxides X
3 Siderite All Fe oxides X
4 Quartz/crystal All phases SiO2 X X
5 Quartz/amorphous All phases SiO2 X X
6 Kaolinite All decomposition products X
7 Gypsum CaSO4 , CaO b
8 Kieserite MgSO4 , MgO
9 Calcite/lime spar CaO b
10 Magnesite MgO b
11 Dolomite MgO CaO b
12 Enstatite X X
13 Periclase MgO
Binary mixtures
14 FeO/SiO2 Fayalite X X
15 CaO/SiO2 Wollastonite X X
16 CaO/Fe2 O3 Calcium ferrite X X
17 MgO/Fe2 O3 Magnesium ferrite
18 FeO/Al2 O3 Hercynite b
19 MgO/Al2 O3 Genuine spinel b
20 CaO/Al2 O3 Calcium aluminates
21 MgO/SiO2 Enstatite b
22 INERT SUBSTANCES
a
No melting point in the relevant area
b
The conversion kinetics of all these mineral substances are explained in Božić et al. (1998)
Different coal fractions have different mineral compositions (Kipp and Becker
1999). The reasons for this lie in the pulverizing process and in the different
strengths of the individual mineral phases. Addressing the mineral composition
of several coal fractions leads to a considerable improvement in the simulation of
slagging.
Scalar grid
Sk+1
ctory
le traje
Pi,j+1 Partic
j+1
Pi-1,j Sk
Pi+1,j
Pi,j
j
Sk-1
Pi,j-1
j-1
i-1 i i+1
Fig. 5.13 Diagram of the variable coupling between the Euler and Lagrangian methods (P is the
definition point for scalar variables in the control volume, S is the reference point for the particle
trajectory)
496 5 Mineral Matter Transformation in Furnaces
further calculations, in order to avoid exposing the particle to abrupt changes (e.g. in
mineral matter transformation in the TRAMIK program). For fast-running mineral
conversions, a sufficient number of time steps was used between the two reference
points and correspondingly fewer were used for slow-running mineral conversions.
If several mineral conversions occur at the same time in a particle and influence one
another, the fastest conversion specifies the size of the time step.
In Božić (2002) as well as in other works, a very simple adhesion criterion is used,
namely the ash initial softening temperature and/or the ash flow temperature, i.e., a
particle the temperature of which is above the level regarded as being critical will
adhere, whereas a particle with a lower temperature will be reflected. Whether or not
a deposit coating already exists and whether or not this coating is possibly sticky
or melted is not taken into account. Sublimation and condensation of vapors are
discussed in Hoppe (2005) and Magda (2012), but the processes in the wall deposit
coating are not simulated here either. To this end, transient models must be used
that are similar to those used for mineral matter transformation in the combustion
chamber or in equilibrium calculations. See also Müller and Heitmüller (1997),
Bernstein et al. (1999), and Hecken et al. (1999).
5.6 Simulation of Mineral Matter Transformation and Slagging 497
The simulation of the slagging of the combustion chamber of a 600 MWel pulverized
brown-coal-fired steam generator is described in Božić (2002), as per the procedure
presented here. A simulation including also chemical equilibrium approaches is
given in Strelow (2013) and in the next chapter.
Description of the Combustion Chamber
The combustion chamber has a square cross-section with an edge length of 20 m
and a height of 56.8 m (see Figs. 5.15 and 5.16).
The combustion chamber is equipped with eight coal-pulverizing mills in which
the brown coal is simultaneously pulverized and dried. Hot flue gases are fed from
the combustion chamber into the mills to dry the coal. Each mill supplies a “burner
corner” with the coal dust-gas-carrying mixture. Each burner corner is equipped
with two burners. The lower level has two dust fingers (DF1 and DF2), while
DF......Dust finger
OFA...Over fire air
75
z [m]
70
Recirculation
Left-hand
65 and OFA level 2
wall 60
55
50 Rear wall
45
40
35
OFA level 1
30
Front wall
25
20
Oil ignition burner
15
0
0 20
5 15
10 10
m]
Y[
5
X[ 15
m] 20 0
the top layer has only one (DF3). Core air nozzles replace the top layer’s second
dust finger (DF4). The burner belt begins at 20.5 m and ends at 32.1 m. The dust
fingers and air nozzles of the burners are all set horizontally and oriented towards a
combustion circle of 2 m in diameter. A burn-out grate is located under the hopper
of the combustion chamber—the unburned components of the combustion chamber
ash are combusted on this grate in an after-burning process. Oil ignition burners are
positioned between the coal burners in two levels, at C23.110 m and C29.770 m. In
simulated operation, these are out of service and are supplied with combustion air
from the air heater (air preheater).
Combustion air is fed to the burners and into two over fire air levels (OFA), which
are positioned at different levels within the combustion chamber. The OFA levels are
at C47.76 m and C62.50 m. Before the second OFA is injected, the air ratio is 1.05
and 1.21 at the end of the combustion chamber. The flue gas recirculation ports
are positioned at a height of C61.8 m. Approximately 20 % of the flue gas flow
is sucked through these ports to pre-dry and transport the fuel. The lower edge of
the suction heads is positioned at C60.6 m in height. The simulation calculations
were performed up to an altitude of C74.9 m (hopper upper edge D 18.1 m), thus
5.6 Simulation of Mineral Matter Transformation and Slagging 499
incorporating the first heating surface bundle. The calculation was carried out for a
7-mill full load. Burner and mill number 8 were out of service.
Determining the Coal and Mineral Properties
The simulation was performed for a brown coal from the Rhenish mining area.
The coal properties were determined from their proximate and elemental analyses
from a previous study (Heitmüller and Müller 1999). The study results are given in
Table 5.8.
The coal is dried in the mills to a residual moisture content of around 28 wt.-
%. The qualitative composition of the raw minerals and ash properties were also
examined using selected reference coals from the same sample. The experimental
elemental analysis of the ash was converted into ash oxides (see Table 5.9) and
further used in this form for simulation purposes.
The oxide analysis data was used to calculate the ash melting point, the surface
tension, and the viscosity in the TRAMIK post-processor. They are important if
these values are not given as measured values in the program. These data was also
used to carry out several internal balances of the mineral substances during the
conversion process.
A quantitative mineral composition was determined with limited accuracy (see
Table 5.10) from this composition and from the data of a REM/EDX analysis
(Kipp and Becker 1999). Mineral grains were discovered in several coal particles;
different mineral phases were highly intergrown within the grains, but not all of
these phases could be identified. Organically bound mineral substances were also
found in the form of cations. On physical reasons, it was assumed that the cations
500 5 Mineral Matter Transformation in Furnaces
Table 5.10 Composition of the mineral phase of the coal (per particle size)—initial data for the
simulation
Reference coal
Particle size d Œm < 80 80–112 112–160 >160
Pyrite FeS2 0.227 0.344 0 0.405
Hematite Fe2 O3 0.360 2.060 0.250 1.183
Siderite FeCO3 1.800 47.000 12.000 65.000
Magnetite Fe3 O4 0 0.129 0 0.500
Quartz SiO2 52.627 5.697 13.889 0.820
Gypsum CaSO4 2H2 O 36.680 24.96 28.727 18.195
Kaolinite/Illite Al2 Si2 H4 O9 0.789 1.203 5.320 8.438
Periclase MgO 0.950 0.500 3.020 1.584
Enstatite MgSiO3 0.142 0.158 8.949 0.082
Mixed oxides
FeO/SiO2 0 0 0 0
CaO/SiO2 1.130 7.458 5.419 0.075
CaO/Fe2 O3 5.29 10.006 0.248 3.670
MgO/Fe2 O3 0 0 0 0
FeO/Al2 O3 0 0 0 0
CaO/Al2 O3 0 0 1.530 0.048
Al2 O3 /SiO2 0 0 0 0
Sum %.-wt. 99.995 99.5150 79.352 100.000
Inert/Unknown %.-wt. 0.005 0.4850 20.648 0
are converted into oxides at the beginning of the process. This is why heavily mixed
mineral phases (in the coal particles) which could not be identified—and cations
from the organic content of the raw coal—are given as the ratio of the individual
oxides. In accordance with the level of development that has been achieved in
TRAMIK, mineral mixtures were regarded as being binary and were introduced
into the calculations in this form.
The elemental analysis of the ash shows that the proportion of alkalis (Na, K)
is very high, which is typical of Rhenish coal. Alkalis in combination with silicon
and iron-bearing substances are known to be conducive to slagging and these have
not been considered in the light of TRAMIK’s current development stage—they are
only taken into account in Hoppe (2005) and Magda (2012) and provide furnace
walls etc. with an initial deposit coating of condensed or sublimated vapors.
To evaluate the properties of the ash, the initial softening temperature (#soft D
1140 ıC) and the hemisphere temperature (#hem D 1290 ıC) were determined.
Simulating Flow, Burn-Out, and Heat Transfer in the Combustion Chamber as
per the Euler–Euler Method
The simulation was carried out using the operating parameters shown in
Table 5.11.
5.6 Simulation of Mineral Matter Transformation and Slagging 501
Table 5.12 Grain size distribution in the simulation using the Euler–Euler method
Average particle- Mass fraction Raw coal Pure coal fraction
Class size (m) of the class (kg/s) (kgwaf /kgcompl )
1 50 0.15 16.31 0.682
2 120 0.20 21.73 0.683
3 330 0.65 70.67 0.683
In the first calculation step, the single-phase approach as per the Euler–Euler
method (gas and solids as per Euler) was used to solve the transport equations
for mass, momentum, energy, and concentrations of substances—coupled with the
conversion rates for the combustion. As a result of this calculation, we obtain
the velocity, temperature, radiation flow, and concentration fields for the flue gas
components, as well as for the volatile components, coal, coke, and ash.
The concentration fields for solids were calculated for three particle sizes (see
Table 5.12).
More information about the combustion, radiation, and momentum models
used and details about the velocity, temperature and concentration fields, and the
unburned components (CO and residual coke) can be found in Müller (1992) and
Božić (2002).
502 5 Mineral Matter Transformation in Furnaces
-3 -2
7.50 .10
-3
1.00.10
-5 -3
2.51 .10 5.01.10 1.00 .10
Fig. 5.17 Ash deposition on the walls of the furnace of a power plant block (in sequence: front
wall, left-hand side wall, rear wall, and right-hand side wall)
All the mineral phases from the composition of the raw coal and which appear
in the simulation are listed in Table 5.10. Raw minerals—affected by combustion
and the particles’ contact with the flue gas—are converted into ash. The following
mineral phases were calculated in the ash particles adhering to the wall: hematite,
magnetite, wustite, lime (CaO), Ca sulfate, wollastonite, quartz, cristobalite, peri-
clase, and alumina (Al2 O3 in traces). Liquid mineral phases (slag) with fractions of
CaO and FeO were also found in the deposits.
Glass phases on the wall were also calculated in deposits in the zone between
the OFA1 and OFA2 air nozzles. This indicates adhering particles that have melted
while crossing the burner circle—these particles solidify and form a glass phase
caused by rapid cooling, which is helped by the OFA nozzles and proximity to the
wall.
5.6 Simulation of Mineral Matter Transformation and Slagging 505
Table 5.15 Mass flow rates: of the deposits—total, of the unburned coke, and of the ash on the
individual combustion chamber walls
Reference coal
Component Deposits Coke Ash
Mass flow rate [kg/s] [%] [kg/s] [%] [kg/s] [%]
Front wall 0.061 5:13 0.048 0.013 4:81
Left-hand wall 0.051 4:29 0.035 0.016 5:93
Rear wall 0.444 37:31 0.340 0.104 38:52
Right-hand wall 0.244 20:50 0.186 0.058 21:48
Hopper 0.390 32:77 0.311 0.079 29:26
Sum: 1.190 100:00 0.920 100.00 0.270 100:00
The trajectories of adherent particles are generally short, lasting from one to nine
seconds. Other particles leave the furnace after a short time. The exceptions here are
very fine particles which are trapped in a stationary vortex and as a result can fly for
a long time in virtually closed trajectories. However, this only pertains to a small
percentage of the total number of trajectories.
Examining the ratio of residence time to flight time for different coal/ash
particles, we can propose the following time scale:
1. Very fast conversion processes: up to 0.5 s
2. Fast conversion processes: between 0.5 and 10 s
3. Slow conversion processes: longer than 10 s.
Slow conversion processes continue running on the wall or outside of the furnace
if the conditions of the reaction course still exist. This classification enables mineral
conversions running in the furnace to be more easily differentiated from one another.
As examples of this, the mineral conversions on several trajectories are described
in more detail below:
On trajectory no. 2040, with a mixture of CaO/Fe2 O3 at the inlet, Ca-ferrite is
formed within 0.56 s. The particle flies through the hot zone of the burner circle
and melts. Now the droplet (no longer a particle) reaches the wall and adheres to it,
after a short flight time of 1.7 s. Other procedures in the formed deposits were not
addressed by this simulation.
Pyrite thus decomposes within 50 ms, e.g., on trajectory no. 1158 (Fig. 5.18).
In the subsequent 30 ms, the pyrrhotite that has been formed partially converts to
magnetite and reaches the melting point. If we continue to follow the course of the
reaction along trajectory no. 1158, we can see that the reaction in the melt (FeS-
Fe3 O4 ) first continues, then ends after 13 ms. A temperature rise from 1463 to 1561
K in this flight sequence accelerates the entire reaction process. After 0.31 s total
flight time, the particle enters the zone of slightly cooler flue gas. The liquid Fex Oy ,
meanwhile fully formed, crystallizes into magnetite in a very short time (1 ms). In
general, melting and solidification processes are very fast, predominantly below 100
ms. Further along the flight path, a sufficient supply of oxygen also allows oxidation
506 5 Mineral Matter Transformation in Furnaces
0.6
800
Sulfur
0.4 oxide SO 600
Pyrrhotite
Sulfur 400
0.2
200
0.0 O2 used 0
0.005 0.015 0.025 0.035 0.045 0.055
Time [s]
Fig. 5.18 Pyrite conversion within a particle along a trajectory in the combustion chamber
into hematite. The particle converts completely into hematite before striking the
wall.
Acid removal processes are fast procedures occurring in typical ash particle sizes
of 20 m or less, with a duration of less than 1 s. A local flue gas atmosphere with
a large amount of CO2 slows the decomposition process. A typical decomposition
time for siderite—0.39 s—was calculated for trajectory no. 559 in the simulation.
Particles with gypsum content emit moisture and water from their structure
in a short time (usually less than 0.5 s). Depending on the particle size, further
decomposition of the already-formed Ca sulfate into CaO and SO3 takes place,
within a timeframe of 30–150 s—and this is why the decomposition of CaSO4 can
be described as being relatively slow. None of the particles with gypsum cores have
completed their conversion before impact occurs. At the point in time when they
adhere, they consist of a mixture of CaO and CaSO4 (trajectory no. 21340).
More conversion examples of binary mixtures are illustrated in Fig. 5.19 (wollas-
tonite formation, trajectory no. 12880) and Fig. 5.20 (enstatite formation, trajectory
no. 13616).
A look at the distribution of the mineral phases over the combustion chamber
walls (Figs. 5.21 and 5.22) indicates an increased amount of iron oxides. In
the burner region where the flue gas atmosphere has less oxygen, the wustite
phase fraction Fex O is predominant. This mineral phase (content: ferrous iron) is
conducive to slagging due to its low melting temperature and its affinity for binding
with other oxides. In the upper part of the furnace, the proportion of magnetite
and hematite is higher. The reasons for this are the longer particle trajectories and
the high O2 concentrations within the zone of the OFA1 and OFA2 air nozzles.
The particle trajectories permit the rapid completion of iron oxidation. The iron
5.6 Simulation of Mineral Matter Transformation and Slagging 507
Wollastonite formation
1.2 1800
Temperature
1600
1.0
0.8 1200
1000
Melt Glass
0.6
SiO2
800
0.4 CaO
600
Wollastonite 400
0.2
200
0.0 0
0 2 4 6 8 10
Time [s]
Fig. 5.19 Wollastonite within a particle along the trajectory in the combustion chamber
Temperature 1400
Temperature [°C]
1200
0.8
1000
SiO2
MgSiO3 800
600
0.4
400
MgO 200
0.0 0
0.0 0.4 0.8 1.2 1.6 2.0
Time [s]
Fig. 5.20 Enstatite formation within a particle along the trajectory in the combustion chamber
in hematite is trivalent (Fe3C ) and in the case of other oxides, it accelerates the
formation of a solid glass structure (hard deposits).
One open issue is the actual origin of the wustite. The minimum calculated O2 -
partial pressure amounts to 4 105 bar. During the combustion phase, lower values
of up to 108 bar can be briefly found in the boundary layer of the coal particle.
At ordinary temperatures in the combustion chamber and in the already-determined
O2 -partial pressure zone, we can expect the formation of a wustite phase to be very
limited (see Fe-O phase diagram in Muan and Osborn (1962)). The fact that wustite
can be found at all is only because it is a decomposition product of siderite. If there is
sufficient O2 available (pO2 > 105 ), wustite will oxidize to magnetite and hematite,
but this reaction is slow and is not completed during the short flight time.
508 5 Mineral Matter Transformation in Furnaces
Section plane
J = 47 (Y=19.87 m)
MPKTASH [kg/m 2 s] a - b - c - d - e
-6 -3 -3 -3 -2
1.00 .10 2.50 .10 5.00 .10 7.50 .10 1.00 .10
MAXIMUM
e) Periclase MgO
Fig. 5.21 Distribution of the mineral phases on the rear wall of the combustion chamber
The calculated ratios between CaO and CaSO4 situated in the deposits show that
the average decomposition of CaSO4 into CaO and SO3 is less than 40 %. The time
required for the completion of decomposition can only be achieved if the particle
trajectories lead to the upper part of the furnace.
5.6 Simulation of Mineral Matter Transformation and Slagging 509
MAXIMUM
Section plane
J = 47 (Y=19.87 m)
MPKTASH [kg/m 2 s] a - b - c - d - e
-6 -3 -3 -3 -2
1.00 .10 2.50 .10 5.00 .10 7.50 .10 1.00 .10
d) SiO2
Beta-quarz e) SiO2
Beta-critobalite
Fig. 5.22 Distribution of the mineral phases on the rear wall of the combustion chamber
Mullite found in the deposits and the small amounts of Al2 O3 originate from the
decomposition process of the kaolinite (component of the clays).
The weak point of this analysis is the adhesion criterion (softening temperature).
According to the relevant PD, many calculated mineral substances in the ash
particles have a solidus temperature Tsol above the softening temperature Tsoft
(temperature at the onset of melting under stationary conditions) in the adhesion
point. This is why the particle is not melted at the point of impact and therefore
510 5 Mineral Matter Transformation in Furnaces
does not adhere to the wall or only adheres to it if a sticky coating has already
formed on the wall.
In any case, only simple substances and binary mixtures can currently be
addressed in the modeling procedure (TRAMIK) for a particle’s ash composition.
In reality, however, one or two minerals do predominate, but other substances also
occur as admixtures, e.g., inorganic cations bound with organic fractions of the coal.
These components affect the solidus temperature of the mineral phases in question.
Admixtures lower the liquidus temperature in the majority of cases considered.
The softening temperature of the coal sample is therefore lower than the solidus
temperatures of many individual components.
Nevertheless, as far as modeling and the determination of material values
of mineral matter transformation are concerned, the work will continue. More
storage capacity and greater computational speed will allow increasingly detailed
simulations in future—simulations which, in practice, will greatly facilitate the
selection of coals that can be burned in a plant without any major problems
occurring—and also make the designing and customizing of new furnaces for the
planned variety of coal considerably easier.
The simulation of the slagging of the combustion chamber of a test plant is described
in Strelow (2013) as per the procedure presented here.
The test plant used at the Institute for Heat and Fuel Technology generates a
thermal output of up to one megawatt resulting in a fuel consumption of up to
250 kg/h pulverized and dried lignite coal (Dobrowolski et al. 2009). Figure 5.23
schematically shows the test plant. The horizontal combustion chamber consists
of a water-cooled membrane wall construction, which is followed by a water-
cooled vertical and horizontal flue gas channel. Water cooling ends upstream the
air-preheater. Evaporating of cooling water will be prevented by safety shutdown.
A cooling unit on the roof of the building discharges the heat absorbed by water
into the environment. Downstream of the air preheater, the flue gases are cleaned
from dust in a gas cyclone and subsequently through a bag filter and conveyed via
an induced draft fan through the chimney into the atmosphere.
5.7 Simulation of Mineral Matter Transformation and Slagging 511
Modelled combustion
area
Cyclone
Combustion
Burner chamber
Fig. 5.23 Schema of the test plant (furnace cross section 1.05 x 1.06 m, length 4.2 m)
The coal burner used in this test furnace is a 3-concentric channel burner with
central primary-, secondary-, and tertiary air and in addition with an ignition- and
auxiliary-gas-burner. Primary and tertiary air blow axially into the furnace, whereas
the secondary air is swirled to provide a good mixing between the pulverized
coal (primary air) and the air within a short distance after the burner nozzle. The
pulverized coal flow is controlled by a dosing device, i.e., a disk with boreholes
rotating in a fluidized bed consisting of pulverized coal. The disk rotates between
two tubes on both sides. When the boreholes release the air flow from one tube to
the other tube on the opposite site of the disk, the pulverized coal content in the
boreholes is released also. The rotating velocity of the disk determines the mass
flow of the pulverized coal. The air flow is controlled by dampers and the fan speed.
Part of the flue gas can be recycled by flue gas recycling fan.
For the simulation of the test plant a grid is provided for the horizontal furnace,
the burner nozzles, and the first part of the flue gas duct. For simplification the tubes
of the furnace walls are assumed to form a flat plane. The resulting CFD-grid has
about 1 million finite volumes (cells) with refinements at the burner inlets and on
the walls. It is shown in Fig. 5.24.
The pulverized coal fired was dried and milled brown coal of the Rhenish brown
coal region. The data of the coal as well as of the air flows are given in Table 5.16.
The pulverized coal is classified into 5 particle classes containing 20 % mass flow
each. The mean particle diameters were defined by a particle-class-analysis.
512 5 Mineral Matter Transformation in Furnaces
700 700
2120
700
1220
140
Top
Rear wall
1340
105
0 00
39 0
93
Front wall
1060
Bottom
Burner inlet
The simulation results show that the flame is directed towards the combustion
chamber front wall and the ceiling because of the swirl impact. An unsymmetrical
flow profile is built. In the area of the combustion chamber rear wall appears a back-
flow region, which is additionally supported by turbulence due to the deflection
of the flow into the flue gas duct. By the formation of the flow profile, the
main combustion zone is moved in the direction of the front wall. The highest
temperatures occur near the front wall in the second third of the combustion
chamber. The maximum calculated gas temperature is about 980 ı C. Figure 5.25
shows the resulting temperature profile.
Based on the cross-section averaged profiles of temperature and flue gas con-
centrations the process of combustion can be understood well (Fig. 5.26). After
the injection of the pulverized coal into the combustion chamber, the drying and
thermal decomposition of coal into volatiles and coke takes place. The formation of
CO by the oxidation of volatiles and heterogeneous reactions on the coke surface
reach its peak after about 1.5 m. This is followed by the oxidation to CO2 , which is
continuously completed towards the end of the combustion chamber.
5.7 Simulation of Mineral Matter Transformation and Slagging 513
Table 5.16 Coal and flow data for the pilot plant furnace simulation
Combustion air/coal
Mass flow Temperature Inlet velocity
[kg/s] [ı C] [m/s]
Transport air 0.0200 20 30:7
Primary air / axial air 0.0342 190 28:7
Secondary air / swirl air 0.0236 181 15:8
(swirl angle: 38.2ı )
Tertiary air 0.1330 204 38:3
coal 0.0231 20 30:7
Air contents [Mass-%]
O2 H2 O N2 CO2
23.097 0.234 76.620 0.049
Proximate analysis
Humidity [Mass-%] 11:50
Volatiles [Mass-%] 52:89
Ash [Mass-%] 4:30
Net calorific value [MJ/kg] 22:90
Ultimate analysis [Mass-%] (waf)
C H N S O
69.48 5.01 0.80 0.46 24.25
Particle class distribution
Particle class 1 2 3 4 5
Particle size [m] 14 41 74 155 270
Particle distribution [Mass-%] 20 20 20 20 20
Temperature [°C]
950
900
800
700
600
550
900 4.5E-03
700 3.5E-03
average) [kg/kg]
average) [°C]
600 3.0E-03
500 2.5E-03
400 2.0E-03
300 1.5E-03
200 1.0E-03
100 5.0E-04
0 0.0E+00
0 1 2 3 4
Distance from burner inlet, x-direction [m]
Fig. 5.26 Calculated temperature profile and CO-concentration along the furnace in direction of
the flow (cross-section average values)
The mineral matter composition was determined on the basis of qualitative analysis
and analysis of coal used and calculated based on the presented approach of
chemical element balancing. This results in the classification of raw minerals shown
in Table 5.17.
For the simulation of mineral transformation using Lagrangian approach follow-
ing boundary conditions are set:
• the number of simulated particle trajectories was determined by preliminary tests
on approximately 110 000 trajectories, which represents a compromise between
accuracy of the results and the required computation time.
5.7 Simulation of Mineral Matter Transformation and Slagging 515
Table 5.18 Considered mineral matter transformation reactions for the simulation of kinetic
(KIN) and equilibrium (EQU) approach
Approach
Reaction KIN EQU
xFeS2 + (2x-1)O2 $ Fex S + (2x-1) SO2 x
3Fex S + (2x + 3) O2 $ x Fe3 O4 + 3 SO2 x
FeS2 $ FeS + 0.5 S2 x
Fex S $ x Fe + 0.5 S2 x
Fe3 O4 $ 3 FeO + 0.5 O2 x
3 Fe2 O3 $ 2 Fe3 O4 + 0.5 O2 x
3 Fe2 O3 + CO $ 2 Fe3 O4 + CO2 x
Fe3 O4 + CO $ 3 FeO + CO2 x
Fe + 0.5 O2 $ FeO x
3 FeO + 0.5 O2 $ Fe3 O4 x
2 Fe3 O4 + 0.5 O2 $ 3 Fe2 O3 x
FeO $ Fe + 0.5 O2 x
2 FeO + 0.5 O2 $ Fe2 O3 x
2 Fe + 1.5 O2 $ Fe2 O3 x
FeCO3 $ FeO + CO2 x
3 FeCO3 $ Fe3 O4 + 2 CO2 + CO x
CaSO4 2H2 O $ CaSO4 + 2 H2 O x
CaSO4 $ CaO + SO2 + 0.5 O2 x
CaCO3 $ CaO + CO2 x
CaO + CO2 $ CaCO3 x
Al4 Si4 O10 .OH/8 $ 2 (Al2 O3 2SiO2 ) + 4 H2 O x
Al2 O3 2SiO2 $ Al6 Si2 O13 + 4 SiO2 x
Fe2 O3 + CaO $ CaFe2 O4 x
Fe2 O3 + 2 CaO $ Ca2 Fe2 O5 x
3 CaFe2 O4 $ Ca2 Fe2 O5 + CaFe4 O7 x
CaFe4 O7 $ Fe2 O3 + CaFe2 O4 x
MgO + Fe2 O3 $ MgFe2 O4 x
MgFe2 O4 $ MgO + Fe2 O3 x
3 CaO + 3 MgO + 3 SiO2 $ Ca3 Mg(SiO4 )2 + Mg2 SiO4 x
Mg2 [Si2 O6 ] $ Mg2 [Si2 O6 ]
516 5 Mineral Matter Transformation in Furnaces
Particle
Temperature
[°C]
1200
1100
1000
900
800
700
600
500
Top
Fig. 5.28 Deposits on the combustion chamber walls (based on 14 000 000 particle trajectories)
Figure 5.27 shows an example of 60 particle trajectories and the local particle
temperature. In Fig. 5.28 the resulting deposit structure on the combustion chamber
walls is shown. As bonding criterion a softening temperature of 1100 ı C is assumed.
After entering the combustion chamber particles are deflected by the flow in the
direction of the front wall and be distracted by the swirling either in the direction
of the flue gas duct and outlet or in the back-flow area. The maximum particle
temperatures are reached in the middle of the furnace in the region of the front wall
and are in the range of 1000–1250 ı C. Compared to the gas temperature, which has
5.7 Simulation of Mineral Matter Transformation and Slagging 517
0.75 others
CaCO3
CaSO4(H2O)2 0.20
Al4((OH)8 Si4O10)
Fe3O4
Fe2O3
0.50 0.15
SiO2
Si 2 Al6O13
MgSiO3
0.10
0.25
0.05
0.00 0.00
0 1 2 3 4 5
Distance from burner inlet, x-direction [m]
Fig. 5.29 Mineral matter distribution summed and related to overall mass at furnace exit; kinetic
and equilibrium approach
a maximum of 980 ı C in this area, thus resulting in the particles over temperatures
of up to 270 ı C, because of the combustion reactions of the particles.
Deposits arise on the combustion chamber bottom, the front wall, and the ceiling.
The investigations of the mineral matter transformation are related only to the
combustion chamber deposits on the bottom because the deposits on the combustion
chamber walls in the underlying technical test were not significant and could not be
quantitatively detected.
The results of the mineral transformation are shown in Figs. 5.29 and 5.30.
Figure 5.29 shows the summarized relative proportion of minerals in the x-direction
related to the total deposition at the combustion chamber end. Only the minerals
are listed whose mass fraction at the combustion chamber end is more than 0.5 %.
Due to the high calcium content of the coal, the Ca-bearing minerals such as
anhydrite, srebrodolskite (Ca2 Fe3C2 O5 ), calcite, and gypsum, which are formed from
the originally existing gypsum and calcium dominate. The formation of a major
proportion of magnesioferrite (MgFe2 O4 ) cannot be seen. This can be explained by
the fact that after less flight time the particles have already reached temperatures
which are above the decomposition temperature (see Fig. 5.27). At temperatures
above 887 ı C magnesioferrite decomposes into the periclase and hematite, which is
then converted to srebrodolskite by the present calcium oxide.
The kaolinite dehydroxylation which is calculated by kinetic approach is slow,
so that the proportion of kaolinite (Al4 Si4 O10 .OH/8 ) in the deposits is greater than
the metakaolinite (Al2 O3 2SiO2 ) portion.
518 5 Mineral Matter Transformation in Furnaces
Mineral mass fraction in relation to overall ash content of each mesh segment [kg/kg]
The formation of merwinite (Ca3 Mg(SiO4 )2 ) does not occur due to the necessary
higher reaction temperatures. Simultaneously, the free calcium is converted at lower
temperatures to form calcium carbonate or srebrodolskite.
5.7 Simulation of Mineral Matter Transformation and Slagging 519
The deposition rate increases at the end of the combustion chamber through
the sluggish behavior of the large particles in the regions in the flow deflection.
Therefore, the increase primarily relates to the minerals present in particle class 5.
The local distribution of minerals in the deposits on the combustion chamber
bottom is shown in Fig. 5.30.
The measurement campaign to measure the data later on used for comparison with
the simulation results was carried out over a test period of about 27 h, in which
about 2.2 t brown coal dust from the Hambach mine (Rhenish brown coal area)
were combusted. In addition to temperature and velocity measurements for flow
characterization occurring deposits were located in the combustion chamber area
and chemically analyzed.
The measured temperatures in the combustion chamber were usually well below
1000 ı C, which meant that in the test period no areas of the combustion chamber
were recognizable affected by slagging. On the walls a fouling layer was recognized.
This consisted of adhered ash particles and was easily cleaned off. A quantification
of the amount of fouling layer was not possible. For comparison with the simulation
results, therefore, only the deposits on the combustion chamber bottom were
considered.
The formation of deposits on the bottom is largely determined by the gravity
force acting on the particles. Since the formed layer does not consist of firmly
adhering particles, the local deposition is influenced by the flow forces and can
lead to wind-blown dispersals. Since this phenomenon is not considered in the
fluid dynamics and thus no general statements can be derived from a comparison
of local deposition rates, the bottom of the pilot plant was divided into four areas.
The deposition rates for these areas were calculated by the amounts of deposited
material and test duration time (see Fig. 5.31).
For the areas A, B, and C, the deposits were analyzed for mineral matter
components and compared to the simulation results. Unidentified ingredients have
been excluded from the results. Figure 5.32 shows the results.
The largest deviation provides the comparison of quartz deposits. One reason for
this could be caused by the distribution of raw minerals calculated from the oxide
analysis of the coal, in which a large proportion of quartz is assigned to kaolinite,
which is not converted back into quartz. Furthermore particles of the largest class
of particles 5, which represents the largest portion of total deposits (80 %), contain
no quartz, which has led to low quartz portion in the calculated deposits. In the
ash deposits also no kaolinite was found, so that quartz may occur in other mineral
involvement in the raw minerals. The detected calcium oxide content in the region
A does not occur in the simulation. On the other hand, calculated contents of
magnetite, mullite, enstatite, and hematite were not detected in the ash analysis of
the test campaign. However, their share in the calculation results are low.
520 5 Mineral Matter Transformation in Furnaces
Flue gas
30 30
20 20
10 10
0 0
Si 2
Al 4 (H 2O 2
Ca 2
SiO
Fe 2
Si 2
Ca
Al 4 (H 2O 2
Fe 3 ) Si 4
Mg
Mg
Ca 2
Ca
SiO
Fe 2
Ca
Ca
Ca
Fe 3 ) Si 4
Mg
Mg
Ca
Ca
Ca
((O
((O
SO 4
O
Al 6
CO 3
SO 4
SO 4
O
Al 6
CO 3
O
SO 4
SiO
O3
O4
O
SiO
O3
Fe 2
O4
Fe 2
2
2
O 13
O 13
H 8
H 8
O5
O5
3
3
)
)
O 10
O 10
)
)
30 30
20 20
10 10
0 0
Si 2
Al 4 (H 2O 2
Ca 2
SiO
Fe 2
Si 2
Ca
Al 4 (H 2O 2
Fe 3 ) Si 4
Mg
Mg
Ca 2
Ca
SiO
Fe 2
Ca
Ca
Ca
Fe 3 ) Si 4
Mg
Mg
Ca
Ca
Ca
((O
((O
SO 4
O
Al 6
CO 3
SO 4
SO 4
O
Al 6
CO 3
O
SO 4
Si O
O3
O4
O
SiO
O3
Fe 2
O4
Fe 2
2
2
O 13
O 13
H 8
H 8
O5
O5
3
3
)
)
O 10
O 10
)
)
Table 5.19 shows deposition rates for the furnace areas and the total deposits.
To check whether the modeling of mineral transformation improves the trajecto-
ries deposition forecast, another simulation of particle trajectories was performed,
5.7 Simulation of Mineral Matter Transformation and Slagging 521
Table 5.19 Comparison of the deposition rates between measurement and calculation
Deposition in combustion
Sum Deviation Chamber area [mass-%]
[g/h] [%] A B C D
Measurement 724 19.9 35.8 18.9 25.4
Simulation without 651 10:1 20.9 44.0 17.9 17.2
mineral matter
transformation
Measurement with 739 2.1 21.5 43.2 16.3 19.1
mineral matter
transformation
which starts from the inert behavior of the ash. The results were also compared with
the measurement.
With respect to the total deposition there is a clear improvement when using the
mineral matter transformation approaches. The result is an overestimation of the
deposition rate of 2.1 %. It can be assumed that by secondary reactions of coal and
coke as well as changes in the mineral substance (e.g., gypsum dewatering) the mass
of the deposits is reduced.
The distribution of the deposits on the combustion chamber areas shows the
simulation both with and without mineral conversion to a clear overestimation in
the combustion chamber area B. The tendency of the distribution to the deposition
areas is confirmed by the simulation, however.
Overall, it appears that the modeling of mineral transformation approaches on the
particle trajectories causes an improvement of the deposition forecast. The use of the
equilibrium approach is beyond the ability to expand the base of the kinetic data for
the reaction processes and results in the simulation of the pilot plant especially in
the Ca-bearing minerals in very good agreement with the investigated ash deposits.
Chapter 6
Boiler Simulation—Simulating the Water
and Steam Flow
Flame tube
4 Drum 4 Drum 4
3 3 3
2 2 2
5
1 1 1
1 5 1
In this type of water-tube boiler, the flow for cooling the evaporator tubes results
from the difference in density of the working medium in the downcomers and risers
(see Fig. 6.23 in Sect. 6.4.1). The water-steam mixture which forms in the heated
evaporator tubes is less dense than the water in the (mostly) unheated downcomers
and this causes a buoyancy force. This in turn generates water circulation in the
communicating system, comprised of downcomer, header, riser, and drum. In the
drum, the separation of the water-steam mixture is carried out—in the simplest case
by force of gravity. Better separation of the two-phase mixture is obtained in cyclone
separators, which are also used at higher boiler design pressures. While the saturated
water is fed to the drum and is thus fed to the downcomer again, the saturated
steam leaves the drum in the direction of the superheater. The water circulation
governs itself independently through the amount of supplied heat. With increasing
pressure, the density difference decreases in the downcomer and evaporator tubes
of the natural circulation boiler. The physical limit for the operating range of this
boiler design is the critical pressure, at this point the difference in density between
the two phases (liquid and steam) disappears, so no more steam separation can occur
in the drum. The practical limit for the operating pressure of the drum is around 180
bar, because as the pressure increases, the evaporation heat continually decreases,
gradually reducing the ratio of the evaporation surface to the total heating surface.
As mentioned above, if cyclones are used to improve water separation, the live steam
pressures amount to roughly 160 bar, due to the high pressure losses in the cyclone
separators and superheaters (Leithner 1983a).
One important parameter for the water circulation of a steam generator is the
circulation number UD . It expresses the ratio of the total mass flow mP compl circulating
in the evaporator to the generated steam mass flow mP D . It is calculated from
mP compl 1
UD D D (6.1)
mP D xD
526 6 Boiler Simulation—Simulating the Water and Steam Flow
Table 6.1 Circulation Pressure [bar] Boiler capacity [t/h] Circulation number
number figures for natural
circulation boilers, (Lin 170–190 800 4–6
1991b) 140–160 185–670 5–8
100–120 160–420 8–15
20–30 35–240 15–25
15 20–200 45–65
15 100–200
Table 6.1 lists typical circulation numbers of natural circulation boilers, depend-
ing on design pressure and the boiler capacity.
As can be seen in Table 6.1, the circulation decreases as the pressure increases—
i.e., the steam content xD of the working material at the evaporator outlet rises
with increasing pressure. This means that we must pay special attention to the
heat transfer conditions at higher pressures. In designing the evaporator, we must
therefore ensure that the boiler tubes are sufficiently cooled in both steady-state and
transient operating conditions. To this end, evidence of sufficient distance from the
boiling crisis (film boiling or dry-out) must be provided (see Sect. 2.7.1). As can be
seen in Eqs. (2.282) to (2.289), the critical vapor content depends on the operating
pressure and the heat flow density. This is why an oil-fired boiler with a heat flow
density of around 550 kW/m2 requires a higher circulation number than a coal-fired
boiler with roughly 300 kW/m2 (Brockel et al. 1985).
In the case of inclined or horizontal evaporator tubes (as implemented in vertical
heat recovery boilers, for instance), the Froude number (Eq. (2.302)) modified by
Kefer (1989a) must also be checked for all operating conditions. According to Hein
et al. (1982), the orientation of the tube has no influence on the location of the
boiling crisis if the Froude number is Fr 10. With Froude numbers Fr < 3,
however, the tube location has a very important influence, since the boiling crisis
in horizontal tubes can occur on the upper surface of the evaporator tube with only
very minimal steam contents (also see Sect. 2.7.1).
As described above, the evaporation end point in natural circulation boilers
lies in the drum and is thus fixed in place. An equalization of heat absorption
displacements and the constancy of the live steam temperature are therefore only
possible through the use of injection, unless the heat absorption in the economizer or
in a (possibly existing) convection evaporator provides an appropriate equalization
(Leithner 1983a). Any evaporation that occurs in the economizer is not harmful to
the natural circulation boiler, because a separation of the two-phase mixture occurs
in the drum.
The preferred operation method for natural circulation boilers is fixed-pressure
operation, but these boilers are also used in sliding-pressure operation. The lim-
itation of the rate of pressure change is, however, disadvantageous for both load
increase and load reduction, due to the thermal stresses in the thick-walled structural
component of the boiler. This limitation applies to the components that lie in the
saturated steam zone. The natural circulation boiler is therefore only suitable for
sliding-pressure operation under certain conditions, since the load variation is linked
6.1 Types of Steam Generators 527
Zp2
d#s d
D dp (6.3)
dp d#
p1
Here w#1 is the permissible rate of temperature change in K/s at one bar pressure
and w#2 the permissible rate of temperature change in K/s at operating pressure p2 .
The coefficient a4 in Eq. (6.2) is representative of the two integration limits a41 D
p p
42 D
4 p and a 4 p .
1 2
In the derivation of Eq. (6.2), the following approximate conditional equations
for determining the boiling temperature
p
#s 100 4 p (6.4)
d#s
25p0:75 (6.5)
dp
1
Technical Regulations for Steam Boilers. Published on behalf of the German Steam Boiler
Committee of the Association of Technical Supervisory Societies (TÜV) Essen, Carl Heymann
Verlag KG, Cologne.
528 6 Boiler Simulation—Simulating the Water and Steam Flow
Table 6.2 Start-up times for drum and cyclones with an increase in the operating pressure
(Leithner 1983a)
Start-up time [min]
Component Drum Drum Drum Cyclone Cyclone
Material WB 36 WB 36 WB 36 WB 36 13 CrMo 44
100 % Pressure [bar] 72.8 141 185 192 286
Inner diameter [mm] 1620 1532 1680 585 420
Wall thickness [mm] 41 84 116 46 74.3
#1 [K] 8.1 9.5 8.3 9.8 15.4
#2 [K] 71.1 64.9 67.4 63.5 50.0
w#1 [K/min] 8.7 2.3 1.0 7.0 4.0
w#2 [K/min] 75.8 15.4 7.7 45.2 12.8
, 1 bar, 100 % p [min] 9.74 56.5 137.7 21.42 55.6
, 2 bar, 100 % p [min] 7.85 48.6 120.2 18.82 50.9
, 5 bar, 100 % p [min] 5.24 36.9 92.8 14.83 43.5
, 10 bar, 100 % p [min] 3.39 27.4 70.4 11.47 36.8
, 30 %, 100 % p [min] 1.68 9.5 20.6 3.46 12.0
were used. The temporal rate of the change of temperature d=d# in Eq. (6.3) was
used in accordance with TRD 301, Annex 1:
d# p p1
D w# D w#1 C .w#2 w#1 / (6.6)
d p2 p1
Table 6.2 shows the start-up times required (with pressure changes of 1 bar,
2 bars, 5 bars, 10 bars and 30 % of the operating pressure up to full-load operating
pressure) for different boiler operating pressures, wall thicknesses, inside diameters,
and permissible temperature change rates w# or wall temperature differences #.
The sensitivity of the natural circulation system to rapid pressure reductions
is yet another disadvantage of this boiler type. A too-rapid drop in pressure can
cause vapor formation in the boiler’s downcomers—and this can in turn lead to
malfunctions in the water circulation. If this effect occurs in an evaporator tube, it
can result in the permissible temperature being locally exceeded, which can damage
the tube. According to Strauß (1992), the permissible pressure-lowering rates of
typical plants lie between 6 and 8 bars per minute.
One advantage of the natural circulation boiler is storage capacity, due to the
large volumes of water in its network of tubes. This means that if a pressure
drop occurs due to sudden steam extraction, the heat in the liquid is released as
evaporation heat, thus producing additional steam. According to Lehmann (1990),
the relative storage capability is approximately 2 to 2.5 kg of steam per % of
pressure drop and per kg/s steam output. It should also be mentioned that the natural
circulation boiler under normal circumstances requires no special starting device—
and compared to the other boiler types, it has a lower feed water pump power
consumption. The mass flow density in the evaporator also increases along with
6.1 Types of Steam Generators 529
Evaporator flow
>500
Once-through Once-through steam Natural circulation
steam generator generator with steam generator
full-load circulation
50 50 50
0 0 0
0 50 % 100 0 50 % 100 0 50 % 100
Steam rating
Mass flow density in the evaporator
3000 3000 3000
kg kg kg
m2 s m2 s m2 s
2000 2000 2000
Minimum load
0 0 0
0 50 % 100 0 50 % 100 0 50 % 100
Steam rating
Fig. 6.3 Flow and mass flow density in the evaporator, (Leithner 1983a)
the heating; and this should generally be sufficient to enable a good cooling of the
evaporator tubes (Fig. 6.3).
The assisted-circulation boiler has basically the same structure as the natural
circulation boiler (Fig. 6.2). The difference between the two circulation systems is
the circulation pump additionally implemented in the evaporator of the assisted-
circulation boiler. This provides extra support for the thermal buoyancy in the flow
through the boiler tubes. The drum pressure of the assisted-circulation boiler can
therefore be increased up to around 200 bars ( 180 bars steam pressure). The
arrangement of the circulation pumps is carried out at the lowest point of the
downcomers. The additional static pressure (created by the working fluid in the
downcomer) causes the operating point of the circulation pump to come to rest
slightly to the left of the boiling curve. This has a positive effect on the pumps,
530 6 Boiler Simulation—Simulating the Water and Steam Flow
because the risk of cavitation applies when the saturated steam temperature is
reached. As in the natural circulation boiler, the evaporation end point is in the
drum.
The water circulation impressed by the circulation pump permits greater freedom
in the geometric design of the evaporator tubing, which is thus independent of
the drum location. In comparison to a natural circulation boiler, this is extremely
advantageous if, e.g., a heat recovery or process boiler is to be subsequently installed
in an existing, spatially confined system or if additional cooling elements are to be
implemented. In spite of the associated higher flow resistance, smaller diameters can
be selected for the evaporator tubes, resulting in thinner walls and material savings.
The occurrence of a critical heating surface load at high operating pressures can be
prevented by selecting a suitable mass flow. A uniform distribution of the working
fluid is achieved by installing throttling orifices in the individual evaporator tubes at
the inlet. In consideration of the performance of the circulation pump, the circulation
numbers for the assisted-circulation boiler should be kept small—as per Lehmann
(1990), they should generally lie between 3 and 10 at a pressure difference of around
2.5 bars. Sufficient stability in the parallel flow through the evaporator tubes and a
sufficiently large mass flow (to avoid a boiling crisis) are the criteria for selecting
the circulation number.
The mass flow density in the combustion chamber of the assisted-circulation
boiler is approximately constant with the load and is thus independent of the heat
flow density.
In contrast to the natural circulation system, the working medium in the once-
through system is forced through all the heating surfaces (preheater, evaporator, and
superheater) with the aid of the feedwater pump. One disadvantage here compared
to the natural circulation system is the higher power consumption of the feedwater
pump.
This boiler type is mainly used in the field of higher pressures and where a greater
degree of operational flexibility is required. The steam parameters are only limited
by the material of the boiler elements.
In contrast to drum boilers and once-through boilers with full-load circulation,
the once-through boiler has a variable final evaporation point—the working fluid
is thus completely evaporated in a single pass. A single-phase, sub-cooled flow of
water exists prior to its entering the evaporator; after the final evaporation point, a
single-phase steam flow then exists. The flow must also pass through the sites of
the boiling crises. Depending on the boiler load, the final evaporation point can
6.1 Types of Steam Generators 531
shift locally. In the so-called Benson boiler, which was originally designed for
supercritical pressures, the final evaporation point is shifted to an area above the
evaporator in the transitional zone leading to the superheater—this particular area is
not so intensively heated by the flue gases and is referred to as a residual evaporator.
In the Sulzer system, the steam is separated from the water in a water separator,
similar to that which occurs in the drum of an assisted-circulation boiler. The
evaporator and superheater areas are again clearly defined for all load conditions. A
variable final evaporation point enables us to move heat absorption changes between
the combustion chamber and the convection part of the boiler within the range of
the permissible wall temperatures. In this case there is also no limitation to the heat
intake in the combustion chamber through the two-phase mixture of the working
fluid—so the combustion chamber’s design can be based solely on firing-technical
aspects.
In once-through boilers, the water flow through the heating surfaces is linearly
dependent on the load. A minimum load of 35–40 % is therefore necessary in order
to ensure sufficient cooling of the heating surfaces. A bypass is usually provided in
order to achieve better part-load performance—this bypass feeds the water (which
has accumulated in the bottle) back to the feedwater line at a point either ahead of
or after the preheater; this is done by means of a circulation pump (Fig. 6.2, once-
through boiler with part-load circulation). With this low-load device, the mass flow
density is kept constant, enabling low loads below 40 % to be driven without water
loss.
The minimum load point is important for the designing of a once-through boiler
(see Fig. 6.3). This represents the lowest boiler load at which a pure once-through
operation can take place and at which reliable cooling of the evaporator tube walls
is ensured—and this is also the point at which the smallest mass flow density
occurs in the evaporator (> 700 kg/(m2 s)). This mass flow density defines the
number of evaporator tubes (that can be used) for a vertical tubing installation on
the combustion chamber walls—however, the number of tubes is generally less
than what is actually required. A helically wound combustion chamber wall must
therefore be used (see Fig. 6.4a). Furthermore, the definition of the tube diameter
and pitch is not freely selectable, because the pressure loss in the evaporator coil
and the permissible material temperature must be observed.
One way to increase the number of combustion chamber tubes is by using
internally rifled tubes (Fig. 6.4b). This tube geometry improves heat transfer in the
two-phase region, thereby permitting lower mass flow densities for cooling pur-
poses. The higher pressure loss associated with this is, however, disadvantageous.
Relationships for the calculation of the heat transfer and pressure loss in internally
rifled tubes can be found in, e.g., Chen et al. (1991), Kitto and Wiener (1982),
Iwabuchi et al. (1985), Köhler and Kastner (1986), Matsuo et al. (1987), Nishikawa
et al. (1973), Zheng (1991a), Zheng et al. (1991b), Watson et al. (1974), Xu et al.
(1984), Swenson et al. (1962), or Nishikawa et al. (1974).
Due to the high number of parallel evaporator tubes connected together by
common inlet and outlet headers, there may be temperature variations between
the individual evaporator tubes. This can be caused by heating differences and
532 6 Boiler Simulation—Simulating the Water and Steam Flow
a) b)
Internally-rifled tube
Fig. 6.4 (a) Evaporator wall construction for a once-through boiler, (b) internally rifled tube
by different flow resistances due to, e.g., different tube lengths, tube roughnesses,
welds, an unequal number of tube bends, etc. Heating differences may be caused by,
e.g., design-related differences in the heated lengths (e.g., caused by different bends
in the burner openings), by locally differing fouling of the heating surfaces, and by
the furnace installation itself (e.g., burner levels in operation, asymmetries).
Different heating and/or flow resistances in the individual tubes cause a change in
the mass flow rate, which in turn results in differences in temperature or enthalpy at
the outlet of the evaporator tubes. In a more intensively heated tube in a tube group,
an increase or decrease of the mass flow is dependent on the relationship of the
frictional pressure loss, the static height and the density of the two-phase mixture—
and thus on the location of the heating difference. In an once-through boiler, friction
pressure loss generally dominates—and this means that a more intensively heated
tube in a tube group will evince a lower mass flow—and thus have a higher outlet
temperature than we would expect to be caused by the more intensive heating alone.
The evaporator tubes of the once-through boiler must therefore also be checked for
static instability (see Sect. 6.4.1).
The decrease of the mass flow in the more intensively heated tubes can result
in a change in the heat transfer inside the tube (e.g., reaching the critical heat flow
density or the critical vapor mass fraction at the point of highest heat flow density),
which in turn can lead to failure of the tube.
Different resistances in one tube could be completely equalized by the instal-
lation of additional resistances (e.g., baffles or throttles) in the other tubes at the
same location. However, the implementation of the additional resistance at the same
position is generally not feasible, which means that the correction resistance needs
6.1 Types of Steam Generators 533
to be installed at another location (usually at the tube inlet, since at this point the
mass flow is only subject to minor change and an exactly defined state exists. Here
it is also very important that the fluid is present in a single-phase state. Installing
baffles in the area of the coexisting phases can lead to a reduction in the stability
of the boiler. See Sect. 6.4.2). This is disadvantageous in that equalization is not
uniformly advantageous for all operating conditions.
One further advantage the once-through boiler has should also be mentioned
here: simply because it has no thick-walled components comparable with the drum,
it is especially suitable for sliding-pressure and rapid startup systems (within the
range of permissible thermal stresses). And the live steam temperature can also be
kept nearly constant over a wide load range.
Figure 6.5 shows the development of the net efficiency of steam plants in Europe.
As can be seen from the diagram, efficiency has improved greatly since the late
1980s. According to Weissinger and Dutt (2004), there was a 7.2 % increase in the
efficiency of hard coal-fired plants in the period from 1985–2000 and around 2 %
of that was due to improved turbine efficiency, 1.5 % was thanks to a reduction
in the condenser pressure, roughly 0.4 % was accredited to process optimization,
about 2 % was due to an increase of steam parameters, and approximately 1.3 %
was thanks to other measures—these calculations were based on a 38 % degree of
efficiency. We can see from this just how important an increase in steam parameters
is for improving efficiency.
The increase in steam parameters of the once-through boiler is limited only
by the material of the boiler elements. Great efforts have therefore been made in
recent years to develop new materials with improved properties for use in steam
power plants. Steels today allow steam temperatures of around 600 ı C to 620
ı
C and pressures of around 300 bar (Chen and Scheffknecht 2003). According to
55
once-through technology
175 bar / 540 °C / 540 °C
Evaporator pressure)
50
1. Supercritical plant
Introduction of the
Efficiency [%]
45
280 bar / 600 °C / 620 °C
260 bar / 580 °C / 600 °C
240 bar / 550 °C / 570 °C
40
35
30
1950 1960 1970 1980 1990 2000
Year
Fig. 6.5 Development of the efficiency of steam plants in Europe (Stamatelopoulos et al. 2003)
534 6 Boiler Simulation—Simulating the Water and Steam Flow
2010
~
~ HCM 12 (?) Nickel base Nickel base
Nickel base
1998 9 - 12 %
Chrome steel
7 CrMo VTiB 10 10 Austenite E9 11, P 92, P 122
HCM 2S
1995
260 270 290 350 260 270 290 350 260 270 290 350 bar
550 580 600 700 550 580 600 700 550 580 600 700 °C
570 600 620 720 570 600 620 720 570 600 620 720 °C
Fig. 6.6 Materials development and steam parameters (Stamatelopoulos and Weissinger 2005)
Chen and Scheffknecht (2003), Bauer et al. (2003), Kern and Wieghardt (2001),
or Meyer et al. (2008).
A detailed mathematical description of the mass flow in the network of tubes and
headers that lies in the boiler space in 3D would overwhelm the capacity of today’s
computers. A modeling of the problem is in fact required—one that enables the
simplest possible mathematical description of the physical processes and takes all
significant factors into account. In order to calculate mass flows and velocities in
steady-state operating conditions in the tubes and tubes of the network in question
(and knowledge of these details is usually sufficient for designing the most important
dimensions), it is obvious that we have to take the tubes that are both geometrically
identical and subject to the same hydraulic and thermal boundary conditions and
combine these into groups of tubes, each group of which can then be treated
computationally as one equivalent single tube.
Since steady-state conditions are assumed, the fulfilling of the mass balance in
this equivalent single tube results in the mass flow issuing from the tube being equal
to that which is entering the tube. The momentum balance leads to a link between
the pressures at the two tube ends. In addition to the pressure differences caused
by the different geodetic heights of the tube ends (static pressure differences) and
the frictional pressure drops, the pressure changes caused by any acceleration of
the flow should also be taken into account (see also Sect. 6.4.1). In steady-state
conditions, an acceleration of the flow is created by a reduction in density, which in
turn results from an input of heat. Compared to the frictional pressure drop, however,
the acceleration pressure drop usually plays a minor role. In the case of frictional
pressure drops, we must address these in straight tube sections, in tube bends, and
in any fittings that may be present—but pressure changes caused by changes in
momentum of the flow as it enters and exits the tube must also be considered. In
two-phase flows, it is absolutely necessary to use the corresponding relationships for
the two-phase pressure drop—this drop in pressure is often described as a function
of pressure and steam content. Relationships for the slip, which is the advance of
the vaporous over the liquid phase in two-phase tube flows (this also influences the
pressure change in the tube) can also be implemented here.
The energy balance links the energy supplied to the tube by radiation and/or
convection with the increase of the energy of the water mass flow between the tube
inlet and outlet. The energy of the flow at the tube ends is composed of the enthalpy
and of the kinetic and potential energies.
The equations of state for the water, which can occur in a liquid, two-phase
or vapor state, ultimately link the specific enthalpy, the pressure, and the specific
volume. The equations of state also give us various other state and transport
variables, such as the vapor content in a two-phase flow, the temperature and density
of the fluid, as well as the viscosity, which is also necessary for the calculation of
the frictional pressure drop.
Figure 6.7 shows a real heating surface and its modeling as an equivalent single
tube.
538 6 Boiler Simulation—Simulating the Water and Steam Flow
˙
m Hout pi, hi ,vi, xD,i
t
˙ A, npar
da, s, t, m,
lcompl
li
da x s
˙
Q
Q̇
Geometric data:
• Outer diameter da
• Tube wall thickness sWa
• Tube pitch t
• Tube roughness kR
• Extended tube length lcompl
• Difference in height (height at the tube outlet—height at the tube inlet) H
• Number of parallel tubes npar
• Bends (location, number, radius, deflection angle)
• Additional resistances (throttles, baffles, other additional resistances)
Thermal boundary condition:
• Heat input (constant over the tube length) QP
In terms of the most simple but flexible model for the tubes, it makes sense to
have constant heat input along the lengths of the tubes that are to be combined into
one equivalent single tube, in addition to having constant geometry over the length
of these tubes. With this simple model, deactivating the inlet and outlet pressure
drops at the tube ends makes it possible to map even non-uniform heating over the
tube length (as occurs in the tube walls of boilers’ combustion chambers) by simply
connecting the tubular elements in series. See Fig. 4.3.
6.2 Steady-State Flow Distribution in Boiler Tubes 539
The nodes of the tube network described here are formed by headers, which are
arranged (on the water-steam side) at the inlet to a heating surface or at the outlet
from a heating surface. Those located at inlets should distribute water or steam as
uniformly as possible on the numerous parallel tubes of the heating surface. At
outlets, the headers collect the fluid to feed it to interconnecting tubes, which can be
single pipelines, but also smaller numbers of groups of tubes arranged in parallel.
The model of a header is shown in Fig. 6.8.
Given steady-state conditions, the mass conservation in a header requires that the
sum of the mass flowing into the header is equal to the sum of the mass flowing out
of the header.
Regarding the momentum balance, it is assumed that the vertical dimension of
a header is small compared to the geodetic height differences of the tubes. This
means that static pressure differences in the header can be disregarded. Assuming
that the velocities in the headers are small compared to the velocities in the tubes, the
momentum of the flow in the header may be set to zero. Under these assumptions,
the momentum balance degenerates into a pressure balance—and this means that
the same pressure exists at all the tube ends that are connected to a header.
For the energy balance, we assume that the headers are adiabatic. Furthermore,
it is assumed that the fluid mass flows flowing into a header from various tubes are
completely mixed in the header—with the result that the mixing enthalpy prevails
at the entrance of all the tubes that take fluid from the header.
The dependence of the specific volume, the temperature, and the steam content
on pressure and enthalpy is again described by the state equations for the working
medium.
hhd
A i-1 A i+1
m i-1 m i+1
h i-1,inl Ai h i+1,inl
mi
h i,inl
540 6 Boiler Simulation—Simulating the Water and Steam Flow
To calculate the mass flow distribution in the tube network of natural circulation
systems, a mathematical description of the interaction between the processes in
the steam drum and the tube network is required. The physical processes in a
real drum (which is intended to accomplish the separation of the steam from the
water as completely as possible) are extremely complex. The water-steam mixture
flowing from the risers into the drum is fed to separators—these separators may
be of different types (e.g., cyclone separators or simply deflecting boxes, etc.). It
is their job to carry out a phase separation under the influence of gravity (or under
the influence of centripetal force in cyclone separators), using the density difference
between water and steam. After (possibly) passing through a steam dryer (demister),
the steam should leave the drum through the saturated-steam line—without water
droplets if possible—while the water is removed through the downcomers with as
few steam bubbles as possible. Due to the highly turbulent regime of the partial two-
phase flow under the influence of gravity, the flow processes in the drum have (to
date) evaded a numerical simulation.
However, a relatively simple model of the steam drum is sufficient for the steady-
state calculation of the mass flow distribution in the tube network which is connected
to the drum, Fig. 6.9.
mriser x D
mD
hD,Sat
mf mcond
mriser
hriser
hD,Sat fblow mD
II hf,Sat
hf,Sat
mfeed (1-fU)
mdc,Sat
hf,Sat
III
mfeed fU
mfeed
hfeed
mdc
hdc
Regarding the momentum balance, similar assumptions are made to those in the
modeling of the header—the vertical dimension of the drum is small compared to the
geodetic height differences in the tube network, whereby static pressure differences
between the tube connection points can be disregarded. The momentum of the flow
is also set to zero, resulting in the momentum balance degenerating to a pressure
balance. It can thus be assumed that the same pressure applies for all tube connection
points.
As shown in Fig. 6.9, the mass and energy balances are set in three zones: steam
space (I), water space (II), and the feedwater mixing point (III).
The following applies in the steam space:
The mass flow (from the risers) that enters the steam space mP riser consists of
a water mass flow mP f and a steam mass flow mP riser xD , where xD represents the
steam content of the inflowing circulation mass flow. The inflowing steam mass flow
splits into a mass flow that condenses mP cond (to bring the feedwater up to boiling
temperature) and the steam mass flow that leaves the drum through the saturated-
steam line mP D .
Mass balance:
Energy balance:
Under these assumptions, the following applies for the water space:
Mass balance:
Energy balance:
Energy balance:
where mP dc;Sat denotes the mass flow that leaves the drum at boiling point, while
mP dc represents the mass flow in the downcomers. hfeed is the enthalpy of the feed
water and hdc is the enthalpy of the water in the downcomers.
If no mass flow is diverted/supplied to the tube network connected to the
drum, then the following applies: mP riser D mP dc . This mass flow is also referred
to as the circulation mass flow mP U and we can define the circulation number as
UD D mP U =m P D . The enthalpy of the water-steam mixture in the risers hPriser then
results from the heat supplied to the tube network:
The circulation mass flow or the circulation number cannot be calculated from
an energy balance; they result from the momentum balance for the complete tube
network.
Data management is a central issue for every numerical calculation program. The
geometric data and the thermal boundary conditions must be supplied to the program
via a user interface. The computer program must retain the input data in a suitable
form and prepare it for the solution algorithm. Using a solution algorithm, the result
6.2 Steady-State Flow Distribution in Boiler Tubes 543
the physical values are not required to be discrete, but they are needed in continuous
form.
The results of the calculation (for each tube section):
• Mass flow or mass flow density
• Velocity at the inlet and outlet
• Density at the inlet and outlet
• Steam content at the inlet and outlet
• Temperature at the inlet and outlet
• Spec. enthalpy at the inlet and outlet
• Pressure at the inlet and outlet
• Static pressure difference between outlet and inlet
• Pressure drop through friction and acceleration
• Heat flow or heat flow density etc.
All of the above are preferably stored again in ASCII format files. From here
they can be easily further processed in the “post-processing,” phase.
The system of equations for describing the flow in a tube network is composed
of linear and non-linear equations. Continuity equations are an example of linear
equations. The momentum equations are generally of a non-linear nature, since the
frictional pressure drop in a turbulent flow is dependent on the square of the velocity.
The equations describing the pressure drop in a two-phase flow also introduce non-
linearities. And if we take the kinetic energy into account in the energy equations,
these equations are also non-linear. It is because of these non-linearities that the
equation system for describing the flow in a tube network can only be solved
iteratively.
Figure 6.10 shows the populated structure of the derivative matrix for describing
the flow in a tube network that consists of k nodes and n tube sections.
We can see that the derivative matrix consists of linear and non-linear sub-
matrices and of large areas populated by zero elements—so the derivative matrix
generally represents a sparse matrix. Since the non-linearities necessitate an iterative
solution algorithm from the outset, it is obvious that with the existing structure of the
derivative matrix, we must divide the large system of equations into several smaller
systems that do not have to be solved simultaneously, but which can be solved
successively. The resulting reduction of the order of the sub-systems of equations
considerably reduces the effort involved in the solution procedure.
The rimmed sub-systems of the matrix in Fig. 6.10 form a block-diagonal matrix.
Since more submatrices with nonzero elements also exist outside these rimmed
submatrices, the solution vector cannot be determined directly by successively
solving the rimmed submatrices; instead, the vector is calculated iteratively as per
the block-single-step method (Block–Gauss–Seidel iteration), which is applied to
6.2 Steady-State Flow Distribution in Boiler Tubes 545
Solution vector
h1e....hne
x1e....xne
v1e....vne
m1....mn
p2....pk
h1....hk
v1....vk
x1....xk
1 lin 0 0 0 0 0 0 0
nlin nlin
3 nlin 0 0 0 0 0
ൺlin ൺlin
Equations
nlin nlin
4 nlin 0 0 0 0 0
ൺlin ൺlin
5 0 nlin 0 0 lin 0 0 0
Fig. 6.10 Population of the derivative matrix, k number of nodes, n number of tubes, lin
coefficients may be present in this submatrix (linear terms), nlin variable coefficients may be
present in this submatrix (non-linear terms), 0 empty (unoccupied) submatrix (Nowotny 1982)
equation groups 1+2, 3+4, and 5 to 8. Since equation groups 5 to 8 (which represent
the state equations) are of a linear nature, they can be solved successively. The
equation groups 1+2 and 3+4 are non-linear and therefore need a solution algorithm
for non-linear systems.
The task of solving the complete non-linear system of equations can thus be
reduced to the multiple solution of equation groups 1+2 and 3+4 within an iteration
loop addressing the entire system.
We can use, e.g., the algorithm of MARQUARDT to solve a non-linear sub-
system of equations.
546 6 Boiler Simulation—Simulating the Water and Steam Flow
Downcomer
50
42 32 22 12
HX4 HX3 HX2 HX1
41 31 21 11
5.60 BRA4
7 40 30 20 10
SP4
BRA3
6
SP3
BRA2
5
SP2
BRA1
4
SP1
4.74 3
SP0
0 2
In energy engineering and chemical and process engineering, the working medium
flows through hollow bodies, which are almost exclusively cylinder-shaped. These
are not only used for the transport of the working fluid, but also for heat transfer to or
from the working medium. In the transient consideration of heat transport processes
like this, the heat storage in the wall/stored heat release from the wall must also be
taken into consideration, as it affects the change of state of the media adjacent to the
tube.
Due to the generally high operating pressures in energy and process plants,
knowledge of the wall temperature is of great importance, because in addition to
the existing materials stress caused by the prevalent, high internal pressure in the
hollow cylindrical bodies, thermal stresses are also created. If the maximum per-
missible surface temperature or the maximum permissible temperature difference is
exceeded, this can cause damage to the component (e.g., to the tube or the header).
This is why time-dependent stress analyses of the critical components are necessary
to accurately assess the permissible load changes—and this enables us to calculate
the associated transient stresses which occur (see Albrecht (1966), Schmidt (1967a),
Albrecht (1969), Schmidt (1973), Pich (1983), Taler (1986), Leithner et al. (1990),
Pich (1993) or Taler (1997)).
The hollow cylindrical components used in boiler construction are subdivided
into the so-called thin-walled and thick-walled components, based on their wall
548 6 Boiler Simulation—Simulating the Water and Steam Flow
thicknesses. The tubes of the superheater heating surfaces, the connecting tubes
and the tubes of the evaporator heating surfaces are included among those which
belong to the first group. The drum and the header are assigned to the second group
of hollow cylindrical components.
A possible method for determining the surface temperature and/or the tempera-
ture difference for each of these two groups of components will be covered in detail
in the next two sections.
According to Berndt (1984), we can base our 1D calculation of the wall temperature
of thin-walled tubes on the differential equation of the wall energy balance
(Eq. (6.14)), provided that we do not need to know the temperature distribution in
the tube wall (we would need to know this for any possible stress analysis). Berndt
based this calculation on the assumption of infinite thermal conductivity in the radial
direction and negligible thermal conductivity in the axial and tangential directions.
@
AWa x .%Wa cp Wa #Wa / D ˛in AO;in .#f #Wa / C QP (6.14)
@
A discretization of the time derivative in Eq. (6.14) by means of a backward
difference quotient and subsequent conversion results in:
x
#Wa ˛in AO;in C %Wa cp Wa AWa D
x 0
QP C ˛in AO;in #f C %0Wa c0p Wa AWa # (6.15)
Wa
If we solve Eq. (6.15) with a view to obtaining the wall temperature #Wa , the
result is its explicit conditional equation:
bWa
#Wa D (6.16)
aWa
Assuming that the physical characteristics of the wall, density %Wa and spec. heat
capacity cp Wa are not subject to any major change from one time step to the next,
the coefficients of Eq. (6.16) are calculated using the values from the old time step
in order to save computational time. Relationships for the physical characteristics
of materials are described in Sect. 2.8.4.
The mathematical model for calculating the wall temperature of thin-walled tubes
required a constant temperature in the radial direction for purposes of simplification.
This assumption is permissible for thin-walled components, which are usually
heated. In the case of thick-walled components that are usually unheated, however,
using this assumption leads to serious errors. On the one hand, these deviations
from the actual temperature conditions are created by not addressing transient heat
conduction—and this leads to errors when calculating the heat storage in the wall.
On the other hand, the profile of the temperature in a thick-walled component
cannot be assumed to be linear (as in the case of the thin-walled component
considered above)—so we do not have to solve Fourier’s differential equation of
heat conduction (6.22)
@TWa 1 @ @TWa
%Wa cp Wa D rWa (6.22)
@ r @r @r
for the entire wall thickness of the thick-walled component in one single
procedure—we must (in the simplest case) divide the wall into individual circular
ring segments, as shown in Fig. 6.12. Fourier’s differential equation must therefore
be applied to each ring element and solved numerically. This discretization
procedure is carried out on the assumption of a negligible thermal conduction
in the axial direction and a radially symmetric temperature distribution.
In order to solve the partial differential equation for transient heat conduc-
tion (6.22), we must specify a temporal initial condition and local boundary
conditions. The initial condition specifies a temperature for one specific point in
time at every position on the body. The local boundary conditions—as illustrated in
Sect. 2.3.3—must be specified at the free surfaces (edges).
During the startup procedure of a boiler, the steam created can condense on the
still-cool wall surface of the drum, due to transient pressure fluctuations. Due to the
higher heat transfer coefficient of the condensate relative to the steam and the boiling
liquid in the lower part of the drum, a heat transport in the tangential direction
develops, which would normally necessitate a 2D calculation of the heat conduction
in the drum’s tube wall. As Berndt (1984) was able to prove in his work, however,
only very small temperature differences between the upper and the lower part of the
drum are created—so the 2D calculation of thick-walled hollow cylinders can be
reduced to a 1D heat conduction in the radial direction.
550 6 Boiler Simulation—Simulating the Water and Steam Flow
rn ra
r1
rin
It has already been mentioned in Sect. 6.1.1 that the rate of temperature change
is not entitled to exceed during the startup and shutdown procedures of boilers,
due to the thermal stresses in the thick-walled components of the boiler. These are
proportional to the difference between the inside wall temperature and the integral
average temperature in the wall (Pich 1993; Albrecht 1966).
ˇ# E
th;in D .T Wa ./ TWa;in .r; // (6.23)
1 q
The average wall temperature can generally be calculated from the following
relationship:
Z
1
T Wa D TWa dV (6.24)
V
V
Zra
2
T Wa ./ D 2 2
TWa .r; /rdr (6.25)
ra rin
rin
W w P e E
ri-1 TWa,i-1 TWa,i TWa,i+1
ri- 1
2
ri
ri+ 1
2
ri+
1
Fig. 6.13 General control volume of the discretized thick-walled tube (Walter 2001)
Z2 Z1
1 2 2
@T
Wa;i
%Wa;i cpWa;i riC 1 ri 1 dd' D
2 2 2 @
0 0
Z2 Z1
@TWa @TWa
rWa rWa dd' (6.27)
@r iC 1 @r i 1
2 2
0 0
The partial derivative of the temperature TWa with respect to the radius r at the
control volume boundaries i C 12 and i 12 on the right-hand side of Eq. (6.27) is
replaced by a partly linear approximation.
Z2 Z1
1 2 2
@T
Wa;i
%Wa;i cpWa;i riC 1 ri 1 dd' D
2 2 2 @
0 0
Z2
1 2 2
riC 1 ri 1 %Wa;i cpWa;i TWa;i %0Wa;i c0pWa;i TWa;i
0
d' D
2 2 2
0
Z2 " r
iC 12 Wa;iC 12 .TWa;iC1 TWa;i /
.riC1 ri /
0
#
ri 1 Wa;i 1 .TWa;i TWa;i1 /
2 2
d'
.ri ri1 /
(6.29)
control volume i.
1 2 2
riC 1 ri 1 %Wa;i cpWa;i TWa;i %0Wa;i c0pWa;i TWa;i
0
2 D 2
2 2 2
" #
riC 1 Wa;iC 1 .TWa;iC1 TWa;i / ri 1 Wa;i 1 .TWa;i TWa;i1 /
2 2
2 2
Sorting of Eq. (6.30) by the temperatures yields the conditional equation for a
general control volume i
TWa,in
rin TWa,1 TWa,n TWa,a
r1
- 1
2
r1
rn
rn
+ 1
2
ra
Fig. 6.14 Boundary volume of the discretized thick-walled tube (Walter 2001)
Integration over the radius and insertion of the integration limits gives us
Z2 Z1
1 2
2 @TWa;in
%Wa;in cpWa;in r1 1 rin dd' D
2 2 @
0 0
Z2 Z1
@TWa @TWa
rWa rWa dd' (6.37)
@r 1 1 @r in
2
0 0
The partial derivative of the temperature TWa with respect to the radius r at
position iC 12 is again replaced by a partly linear approximation, as explained above.
The partial derivative of the temperature at the inner wall surface is substituted by
6.3 Transient Boiler Model 555
@TWa;in
Wa;in D ˛in .T f TWa;in / (6.38)
@r
˛in denotes the heat transfer coefficient between the inner solid surface and the
adjacent medium; T f is the average temperature of the fluid flowing in the tube.
Equation (6.37) can thus be written as follows:
Z2 Z1
1 2
2 @TWa;in
%Wa;in cpWa;in r1 1 rin dd' D
2 2 @
0 0
If the two remaining integrals of Eq. (6.39) are solved according to the above
and subsequently sorted by temperatures, we thus obtain the discretized algebraic
conditional equation for the inner tube wall surface temperature TWa;in
rnC 1 Wa;nC 1
aWa D 2 2
(6.47)
.ra rn /
aEa D ˛a ra and (6.48)
2
%Wa;a cpWa;a ra2 rnC 1
aPa D 2
C aWa C aEa (6.49)
2
˛a denotes the heat transfer coefficient between the outer solid surface and the
adjacent medium; T f ;a is the average temperature of the medium flowing around
the tube.
To obtain the special case of an adiabatic outer wall, the outer heat transfer
coefficient ˛a must be defined as being equal to zero.
If equations are written for all control volumes of the thick-walled tube, these
result in a tridiagonal linear system of equations, which can be solved by means of
the TDMA algorithm, for instance.
The average temperature for each time step is determined from the known
wall temperatures at discrete local points. To this end, the integral in Eq. (6.24)
is replaced by the sum of the amounts of the stored heat in the control volumes.
Dividing the amount of heat stored by the sum of the product of cell mass and spec.
heat capacity gives us the conditional equation for the average temperature
P
TWa;i mi cpWa;i
i
T Wa D P (6.50)
mi cpWa;i
i
2
The Courant-Friedrichs-Lewy condition is a necessary condition for numerical stability. Here the
numerical range of dependence must encompass the analytical domain of dependence, in order to
safeguard the convergence of the numerical solution uni against the analytical solution u.xi ; n /.
558 6 Boiler Simulation—Simulating the Water and Steam Flow
3,
2+
k
2,
k+
3,
1/
1/
1
2,
2+
k+
1
1+
,k
2,
2
1/
k
k+
1/
2,
2,
1+
1
k+
1
,k
/2
0+
1,
k
1
1/
k+
1,
0+
2,
1
k+
1
hd
j
/2,
i+1
j
/2,
i-1 i,j
j
/2, ,j
i-3 i-1
,j
i-2
Fig. 6.15 Discretization of the header and the connected tubes (Walter 2001)
not taken into account, so that the tridiagonal structure of the matrix for the balance
equations of the momentum is retained.
This means that we do not need to determine the pseudo-velocity w, O due to
the decoupling of the header in its computational points. Decoupling does not
occur, however, in the conditional equation for the header pressure. As a result,
the calculation of the pressure in the header is not independent of the balance cells
adjacent to the header and therefore results in
X X
aPhd phd D aWhd;j pi;j C aEhd;k p1;k C bhd (6.51)
j k
and
and
The calculation of the spec. enthalpy of the header hhd is, as in the case of
pressure correction, not independent of the balance volumes adjacent to the header
control volume.
The conditional equation for determining the spec. enthalpy of the header thus
results in
X X
aPhd hhd D aWhd;j hi;j C aEhd;k h1;k C bhd (6.61)
j k
%0hd Vhd
a0Phd D (6.62)
aWhd;j D maxŒ.%w/iC 1 ;j ; 0AiC 1 ;j (6.63)
2 2
and
X X
aPhd D aWhd;j C aEhd;k C a0Phd Sphd Vhd (6.66)
j k
The coupling of the control volume for the header to the balance cells of the tubes
adjacent to the header leads to the loss of the tridiagonal structure in the coefficient
matrix for the conditional equations of pressure, enthalpy and the velocity field
(pressure correction equation (6.56)). The resulting bandwidth of the coefficient
matrix is highly dependent on the order of the numbering of the control volumes
adjacent to the header. A bandwidth optimization for the coefficient matrices should
be performed, in order to obtain the narrowest possible band structure for the
equation systems to be solved.
Figure 6.15 shows the tube control volumes adjacent to the computational cell of
the header—the counting direction of the sketched computational cells of the tubes
connected to the header is consistent with the indicated flow direction.
If we regard the indices of the velocities of the tube heads shown in Fig. 6.15,
it can be seen that the velocities at the boundary between the computational cell
of the header and the control volumes adjacent to it are designated by 0 C 12 . This
designation based on the conceptual model represents an imaginary, zeroth balance
cell, which is placed ahead of the first regular computational cell of the tube, instead
of the header control volume.
The conditional equation for the pseudo-velocities wO 0C 1 ;k of the tubes k, k C 1,
2
etc. can thus be written, independent of the flow direction of the working fluid as
illustrated in Fig. 6.15:
and
The index ee of the coefficient aee0;k describes the eastern neighbor of the control
volume e on the staggered computational grid. In contrast to the relationship derived
in Sect. 3.5.3 for the calculation of the pseudo-velocity (Eq. (3.98)), the coefficient
aw0;k is no longer included in Eq. (6.67)—it can be set to zero, based on the
assumption of equal velocity at the left-hand boundary of the imaginary cell and
the first regular balance cell.
The pressure loss due to acceleration caused by the entry of the working fluid
from the header into the tube is addressed in the proportional source term Sp0;k
through the drag coefficient inl , which can be found in, e.g., Richter (1962), Eck
(1988), or Fried and Idelchik (1989).
and
The momentum balance Eq. (3.69) for the tubes k, k C 1, etc. can thus be
expressed in the following form, on the basis of the newly determined pressure field
for the flow direction of the working fluid shown in Fig. 6.15:
The coefficients in Eq. (6.78) can be calculated with the aid of the relationships
in (6.68) to (6.71).
The correction equation for the velocity field of the first balance cells of the tubes
k, k C 1, etc. results in the following:
and
The conditional equation for the spec. enthalpy h1;k of the kth tube can be written
as follows:
By using the relationships set out in Eqs. (6.67) to (6.89), we can set up all the
balance equations for the first of each regular control volume of the tubes (the heads
of which are located in the header); each of these control volumes is adjacent to
the computational cell of the header. The equations presented here can be used
regardless of the flow direction prevailing in the tube.
In order to obtain a complete set of equations for all the tubes connected
to a header, the necessary relationships for the tube ends that open into the
header must be derived by means of a similar method. In the case of the tube-
header model explained here, the complete set of equations for the two pressure
6.3 Transient Boiler Model 563
correction procedures SIMPLER and PISO can be found in Walter (2001), Walter
and Weichselbraun (2002b), Walter and Linzer (2005c), or Walter (2007a).
The drum—the most characteristic feature of a natural circulation boiler—is the core
of the evaporator system and must fulfill a wide variety of tasks (see Sect. 6.1.1).
It is primarily used as a link between the downcomers and the risers to ensure the
circulation of the working fluid and to separate the water-steam mixture emerging
from the riser tubes of the evaporator. The saturated steam is drawn off at the drum
apex and fed to the superheaters.
To prevent the drum from drying out, pre-warmed water is fed to it through the
feed water tubes; this water is more or less completely mixed with the water of the
drum. The salts introduced with the feed water cannot leave the evaporator system
with the saturated steam. To prevent an unacceptably high concentration of salts in
the evaporation system, a certain amount of water is constantly withdrawn from the
drum (= blow-down).
Figure 6.16 shows the sketch of a drum with all variables that are relevant for
the derivation of the drum balance equations—k feed water lines, j risers, and n
downcomers can be connected to the drum. A mass and energy sink is provided
for the blow-down as a function of time. This mathematical treatment of the blow-
down is advantageous in that a drum blow-down can be activated or deactivated at
any time. Only one piping is available for the saturated steam to be drawn off from
the drum—and this piping can be branched into any number of parallel tubes. This
approach was chosen because the pressure in the drum could no longer be clearly
determined in the case of multiple steam outlet tubes arranged in parallel.
As shown in Fig. 6.16, k feed water mass flows mP feed and the water-steam mixture
from the j risers enter the drum. In contrast to the mathematical header model,
separation of the two phases of the working fluid takes place for the mass flow
flowing out of the risers. The water entering the drum from the risers mixes with the
saturated water in the drum. The saturated steam in the drum is also mixed with the
steam phase entering the drum from the risers.
In the model assumption for the two-phase mixture emerging from the risers for
both phases of the working fluid (homogeneous two-phase model), perfect mixing is
provided—but this assumption does not apply to the feed water entering the drum.
The heating of the feed water to the saturated water temperature of the drum is not
always a given, depending of course on the structural design of the drum. In order to
address the effects on the boiler dynamics caused by this situation as well, a variable
degree of mixing of the incoming feed water with the saturated water in the drum
can be provided for. A detailed description of the mathematical formulation of this
problem is given later in this chapter.
As shown in Fig. 6.16, the blow-down mass flow mP blow , the n mass flows in the
downcomers mP dci , and the mass flow of steam mP D;out at the apex of the drum all
564 6 Boiler Simulation—Simulating the Water and Steam Flow
Steam outlet
mD,out , hD,out
Feed water inlet
mfeedk , hfeedk
m riser j , hriser j
Risers
mf,dru, hf,dru
H Tro
m riser i , hriser i
m riser1, hriser1
m blow, hblow
m dc1, Blow-down
hdc 1 mdc i , mdc n,
hdci hdc n
Downcomers
Fig. 6.16 Discretization of the drum and the connected tubes (Walter 2001)
exit the drum. The blow-down mass flow always leaves the drum in a saturated
water state; on the other hand, the outlet mass flow of the steam mP D;out can leave the
drum in the saturated steam state, or in a state with low residual moisture. The spec.
enthalpy of the mass flows that flow into the downcomers is dependent on the degree
of mixing of the feed water entering the drum with the saturated water already
in the drum. The mass flow entering the downcomer may experience subcooling,
depending on the degree of mixing of the feed water mass flow with the drum water.
In the case of the drum model—and in line with the conceptual model of the
header described in Sect. 6.3.2—we can also assume that the momentum transported
into the drum with the entry of the working fluid is completely destroyed—and
also that it builds up again at the tubes (connected to the drum) through which the
working fluid leaves the drum.
In relation to the variables shown in Fig. 6.16, the water and steam mass in the
drum is calculated by means of
or
mD;dru D %D;dru Adru Af ;dru ldru (6.91)
where ldru is the length of the drum, Adru is the total cross-sectional area of the drum,
Af ;dru is the cross-sectional area of the drum taken up by the water, while %f ;dru and
%D;dru represent the densities of the working fluid at the boiling line or dew-point
line under drum pressure.
If we balance the incoming and outgoing mass and energy flows of the drum
(illustrated in Fig. 6.16), the energy3 and mass balance for the drum can be expressed
as follows:
Energy balance of the drum:
X
n
d pdru
mP dci hdci mP blow hblow mP D;out hD;out C Vdru (6.92)
iD1
d
d mf ;dru d mD;dru Xk Xj
Xn
C D mP feedi C mP riseri mP dci mP blow mP D;out (6.93)
d d iD1 iD1 iD1
The time derivatives contained in the energy and mass balance are approximated
by finite differences. The discretization of the derivatives of the balance equations
is carried out by means of backward differences and results in the following:
3
In the rate of change terms of the energy balance, the internal energy of the water or the steam
was replaced with the corresponding spec. enthalpies.
566 6 Boiler Simulation—Simulating the Water and Steam Flow
The variables designated by a 0 represent the state of the variables at the previous
time step.
If the mass balance of the drum Eq. (6.93) and the relationship for the amount
of steam contained in the drum (Eq. (6.91)) are inserted into the energy balance
Eq. (6.92), we obtain the following relationship for the cross-sectional area occupied
by the water in the drum:
a1 C a2
ldru
Af ;dru D (6.94)
%f ;dru hf ;dru %D;dru hD;dru C hD;out %D;dru %f ;dru
X
k X
j
X
n
a1 D mP feedi hfeedi C mP riseri hriseri mP dci hdci mP blow hblow
iD1 iD1 iD1
!
X
k X
j
X
n
hD;out mP feedi C mP riseri mP dci mP blow
iD1 iD1 iD1
and
0
a2 D %D;dru Adru .hD;out hD;dru / C %f ;dru Af ;dru hf ;dru
n 0 0 o
hD;out %f ;dru Af ;dru C Adru Af ;dru %D;dru
0
C Adru Af ;dru %D;dru hD;dru C Adru pdru p0dru
Using the drum geometry (as shown in Fig. 6.16), we can also specify an equation
for the cross-sectional area Af ;dru occupied by the water in the drum, dependent on
the drum water level Hdru and the inner drum radius rin;dru :
2 Hdru
Af ;dru D arccos 1
rin;dru C
rin;dru
p
.Hdru rin;dru / Hdru .2rin;dru Hdru / (6.95)
With the knowledge of the cross-sectional area occupied by the water in the drum
(Eq. (6.94)), we can iteratively calculate the water level in the drum from Eq. (6.95)
or Eq. (6.96).
The steam outlet mass flow mP D;out , which is calculated from the continuity
equation, results in
mP D;out D Af ;dru %f ;dru %D;dru C %D;dru Adru
ldru
h
0 0 i
%f ;dru Af ;dru C Adru Af ;dru %D;dru
X
k X
j
X
n
C mP feedi C mP riseri mP dci mP blow (6.97)
iD1 iD1 iD1
hU
fU D (6.98)
hU;max
hU D hSat hf (6.99)
mfeed ,
1
hfeed1
d
ee
d
ee
,h
f
n U,h
dc f
mfeed (1- ),
ed
U
fe
m
hfeed
ed
fe
m
U ,hfeed ,h f,dru n
m f,dru n
m feed n dc
mf,
dru
1
,hf,
d ru
1
Control space 2
Figure 6.17 shows the underlying model for the subcooling of the water exiting
the drum through the downcomers. In this illustration, k feed water lines feed the
mass flows mP feed1 to mP feedk (with the corresponding spec. enthalpies hfeed1 to hfeedk ) to
the drum. U denotes the fraction of the feed water mass flow which flows directly
into the downcomer and causes subcooling. In this model concept, k feed water
mass flows are mixed, forming one entire feed water mass flow which is fed to the
drum mP feed —this entire flow possesses a spec. mixture enthalpy hfeed . If we take the
energy and mass balance for control space 1 shown in Fig. 6.17 and then combine
the two relationships, we can write the equation for the mixture enthalpy of the feed
water hfeed as follows:
P
k
mP feedi hfeedi
iD1
hfeed D (6.100)
P
k
mP feedi
iD1
6.3 Transient Boiler Model 569
In the model, the entire feed water mass flow mP feed which has entered the drum
is split after mixing, as in the following list:
1. The feed water mass flow mP feed .1 U / mixes with the water contained in the
drum.
2. The remaining feed water mass flow mP feed U flows directly into the downcomers,
where it mixes with the downcomer mass flows mP dci exiting the drum. The entire
feed water mass flow mP feed U going to the downcomers is divided into equal parts
and fed to the individual ndc downcomers.
If we form the energy and mass balance around control space 2 shown in
Fig. 6.17—and then insert the mass balance into the energy balance—we can specify
an equation for the calculation of the individual downcomer enthalpies hdci :
U
mP dci hf ;dru C hfeed hf ;dru mP feed
ndc
hdci D (6.101)
mP dci
P
k
where mP feed D mP feedi . We obtain the minimum entry enthalpy into the single
iD1
downcomer (= maximum subcooling) when we insert U D 1 into Eq. (6.101); and
this in turn results in
1
mP dci hf ;dru C hfeed hf ;dru mP feed
ndc
hdci ;max D (6.102)
mP dci
Substitution of the fluid enthalpy hf in Eq. (6.99) by hdci or hdci ;max and subse-
quent insertion in Eq. (6.98) provides a link between U and fU . In this way, we now
have a clear interpretative possibility for the subcooling factor and according to this
interpretation, it is the mass flow fraction of the feed water that is mixed with the
saturated water upon entering the downcomers.
To complete the drum model, it is necessary to adopt some kind of regulation
for the drum water level, as the water level in the drum during operation is subject
to strong fluctuations, especially during load changes. In order to ensure that the
degree of water level fluctuation specified by the drum manufacturer (high and low
water level) is adhered to in any operating state, regulation of the feed water mass
flow is necessary, as a function of drum water level. However, detailed treatment of
the drum water level regulation is not covered here—we refer only to the relevant
standard VDI 3502. Walter (2001) provides a three-component control for the water
level in the drum and a maximum water level control. In Klefenz (1991) an overview
of boiler control systems is given.
570 6 Boiler Simulation—Simulating the Water and Steam Flow
W w P e E
i-1 i-1/2 i i+1/2 i+1
x xi Control volume
6.3 Transient Boiler Model 571
!
1 1 h i
awi D 2
C max .%w/i 1 ; 0 Ai 1 and (6.107)
x1 1 2 2
2
The index ee of the coefficient aeei denotes the eastern neighbor of the control
volume e on the staggered computational grid.
The conditional equation for the pressure field of the balance cell i can be derived
from Eq. (3.105) for the 1D case and is as follows:
.%0i %i /Ai xi
bi D C .%wA/
O i 1 .%wA/
O iC 1 ˙ mP Inj (6.110)
2 2
with the coefficients dwi and dei according to Eq. (3.104). In comparison to
Eq. (3.106) in Sect. 3.5.3, the residual bi of the conditional equation for the pressure
(Eq. (6.109)) has the additional term ˙mP Inj . This term is a correction of the balance
equation for the computational cell i with additional mass flow source or sink. In
this injection case, the coefficient bi must be supplemented by an additive term.
The balance equation for the momentum (3.69) and the pressure correction
equation (3.85)—written for the 1D case—are solved on the basis of the newly
determined pressure field. The residual bi of the Eq. (3.85) must also be supple-
mented by the term ˙mP Inj , in line with Eq. (6.110).
When solving the energy balance, care must be taken to increase the constant
source term Sci by the value mP Inj hInj in the case of a source, or decrease it in the case
of a sink.
Figure 6.19a shows a heat recovery steam generator of horizontal design—a so-
called vertical tube boiler with an auxiliary firing system. The auxiliary firing system
is used to bring the flue gas (which exits the gas turbine at a temperature of between
510 and 650 ı C and has a high oxygen content) to a higher temperature level. This
increases the steam production and the achievable steam parameters of the heat
recovery steam generator—and also enables the intermediate superheating of the
572 6 Boiler Simulation—Simulating the Water and Steam Flow
Fig. 6.19 Heat recovery steam generator, horizontal design. (a) Heat recovery steam generator,
horizontal design (Semedard and Scheffknecht 1997). (b) Model of the low-pressure evaporator
working fluid. After passing through the auxiliary firing system, the flue gas enters
the boiler and is cooled on the boiler’s individual heating surfaces by convection.
The first superheater heating surface subjected to the gas flow must not only absorb
the convection heat—it also has to absorb the radiant heat of the auxiliary firing
system. After passing through the feedwater heating, the flue gas leaves the heat
recovery steam generator through the stack.
Closer examination of the heating surface of the evaporator in Fig. 6.19a shows
that it consists of a large number of vertical boiler tubes arranged in parallel. The
individual levels of the evaporator are thus subjected to a transverse flow of flue
gas—the temperature difference between the gas turbine exhaust flue gas and the
working medium of the boiler decreases in the direction of the flue gas flow.
Figure 6.19b shows a sketch of the simulation model of the studied low-pressure
natural circulation evaporator. The evaporator consists of a drum, an unheated
downcomer, three unheated supply tubes and risers arranged in parallel and three
standardized modules, each comprising a lower and an upper header and two
parallel, heated tube levels. The risers tubes are ending above water level into the
drum. In the simulated configuration of the vertical-tube boiler, neither cyclone nor
cyclone box is installed in the drum. The gas turbine flue gas mass flow enters the
evaporator tube bundle in level 1 and leaves it after passing through level 6. Each
level of the evaporator tube bundle consists of 84 staggered and segmented finned
tubes.
6.3 Transient Boiler Model 573
500
300
200
0
0 200 400 600 800
Time [s]
Fig. 6.20 Flue gas mass flow and temperature at the inlet of the evaporator heating surface (Walter
and Linzer 2005b)
300
250 Downcomer
Mass flow [kg/s]
200 Riser 1
150
100
50 Inlet tube 1
0 Outlet tube 6
-50
-100 Supply tube 3
-150
0 200 400 600 800
Time [s]
Fig. 6.21 Mass flow distribution in the evaporator of the vertical tube boiler (Walter and Linzer
2005b)
A fast, hot start of the natural circulation heat recovery steam generator was
assumed for this simulation example. The boiler is restarted after a short shutdown
phase, which might be a night shutdown, for instance. Drum pressure is 13.5 bar
and remains constant during the entire simulation.
Figure 6.20 shows the temporal development of the gas turbine exhaust gas mass
flow and temperature in front of the evaporator heating surface. During the first
120 s of the startup procedure, the boiler is flushed with the gas turbine flue gas.
After completion of the flushing process, the gas turbine starts up and the flue gas
mass flow and flue gas temperature increase. After around 730 s, the gas turbine
reaches its full-load condition.
The progression of the mass flow at selected points in the low-pressure evaporator
is shown in Fig. 6.21. During the first phase of the fast, hot start, the temperature
574 6 Boiler Simulation—Simulating the Water and Steam Flow
of the tube wall surface is higher than the flue gas temperature. Transfer of heat
from the finned tubes in the direction of the flue gas therefore takes place—and
consequently a cooling of the evaporator tubes. During this period, a minimal water
circulation already occurs in the evaporator of the heat recovery boiler. The direction
of circulation of the working fluid, however, runs from the drum over the tubes of the
evaporator bundle towards the downcomer. With increasing mass flow and the rising
temperature of the gas turbine flue gas, the heat exchange undergoes a direction
change between the tube bundle and the flue gas. The incipient steam production in
the most intensively heated evaporator tubes 1 and 2 leads to the deceleration and
subsequent reversal of fluid flow in these tubes—it is because of this process that
the direction of the water circulation of the working fluid in the downcomer changes
from an upward to a downward flow. Around 350 s after the start of the simulation,
the incipient steam production in evaporator tubes 3 and 4 is sufficiently intense to
cause a reversal of flow in them (these tubes are not shown in Fig. 6.21). This can be
indirectly ascertained from the rise of the mass flow in the downcomer, in evaporator
tube 6, or in riser 3.
Due to the weak heating in evaporator tubes 5 and 6, deceleration and reversal
of the direction of fluid flow from a downward to an upward flow first takes place
in these evaporator tubes between 640 s and 670 s after the start of the simulation.
When full-load condition is reached, all the evaporator tubes evince an upward flow
of fluid.
In many chemical/technical energy systems and devices the working fluid exists in
a single and/or two-phase state. Compared to the single-phase flow, the two-phase
flow evinces a greater tendency towards fluid-dynamic instabilities. These (inter
alia) might appear as fluctuations of the average density in the tube, as pressure
loss fluctuations, fluctuations in the mass flow, periodic changes in the flow patterns
of the two-phase mixture, or as wall temperature fluctuations. In practice, these
instabilities can lead to vibrations in plant components, non-uniform mass flow
distributions in tube registers, the early onset of boiling crisis, unequal heat flow
or difficult measurement and control of system parameters. These flow instabilities
and thermal-hydraulic oscillations can thus affect the control or operation of the
plant and are definitely undesirable—so care must be taken to avoid the occurrence
of such instabilities, through constructive measures in the design of process and
energy systems and their components.
Initial investigations into the stability of two-phase flow systems were conducted
by Ledinegg (1938). There followed a wide range of studies tackling various aspects
of flow instabilities and thermal-hydraulic oscillations experimentally and/or analyt-
ically, e.g., Mayinger and Kastner (1968), Yadigaroglu and Bergles (1972), Takitani
and Sakano (1979), Thelen (1981), Aritomi et al. (1981), Taleyarkhan et al. (1981),
Li et al. (2004), Martin et al. (1984), Ding et al. (1995) Achard et al. (1985),
6.4 Flow Instabilities 575
Aritomi et al. (1986a), Aritomi et al. (1986b), Taleyarkhan et al. (1985), Lahey et al.
(1989), Satoh et al. (2001), Chang et al. (1993), Chang and Lahey (1997), Clausse
et al. (1989), Nayak et al. (2003), Linzer and Walter (2003), Walter et al. (2005a),
Kakaç and Bon (2008), Nayak and Vijayan (2008), or Ruspini (2013).
Bouré et al. (1973), Bergles (1976), or Yadigaroglu (1981) covered a classifica-
tion of the different types of instabilities. Tables 6.3 and 6.4 show the classification
proposed by Bouré et al. (1973). It is based on the difference between the static
and the dynamic characteristics of the conservation equations used to describe the
dynamics of the imbalance state. Fluid-dynamic instabilities are therefore structured
(according to Bouré et al. (1973)) into static (aperiodic) and dynamic (periodic)
instabilities. An instability is known as composite when different elementary
mechanisms that interact with one another in a process cannot be separately
analyzed. Instabilities which can be observed only after the occurrence of primary
instabilities are referred to as secondary phenomena.
Steady-state instabilities can be determined with the aid of the equations that
are necessary for describing a steady-state or quasi-steady-state flow. The system
variables of the instability that arises are thus a function of the local variables and
not the time variables. A static instability is characterized by the fact that it may
lead to another steady-state solution (Ledinegg instability) or to periodic fluctuations
around the operating point (e.g., flow pattern instability).
On the other hand, a dynamic instability is characterized by the influence of
inertia (time constant of the system) or by the dynamic feedback effects of the
different system components.
Tabelle 6.3 provides an overview of the static flow instabilities according to Bouré
et al. (1973), these will be shown in more detail in the following sections.
Ledinegg Instability
dw
p2 p1 D pext Iext (6.114)
d
where Iext is the inertia of the external system, pext expresses the pressure loss of
the pump, and w denotes the average flow velocity. The frictional pressure drop and
the pressure change due to the geodetic height were disregarded in Eq. (6.114) for
reasons of simplicity. The pressure difference along the heated tube channel shown
6.4 Flow Instabilities 577
Pressure difference
a) b)
Pressure reservoir
p 2
3
D 1
1
cs x =
D <1
3
Heated tube
<x
pext
cteristi
(Case 1)
s0
0
D=
istic
x
chara
s
tic
pext
cter
ris
te
(Case 2)
Tube
ara
ac
p
ar
p
e ch
2
ch
1
be
Tub
Tu
Pressure reservoir Pump
Mass flow
Fig. 6.22 Two-phase system (a) Flow system; (b) Internal and external pressure difference mass
flow characteristics
dw
p2 p3 D pint C Iint (6.115)
d
pint denotes the steady-state internal tubular characteristics and Iint represents the
inertia of the internal system. By combining equations (6.114) and (6.115), we
obtain the total pressure loss
dw
p3 p1 D pext pint .Iext C Iint / D const. (6.116)
d
for the system in question. Equation (6.116) must apply for all times.
The following applies for slight perturbations around a time-averaged equilib-
rium point (designated by 0 ):
ˇ
@pext ˇˇ
pext ./ D p0ext
C •pext ./ Š C •w./ p0ext (6.117)
@w ˇ0
ˇ
0 0 @pint ˇˇ
pint ./ D pint C •pint ./ Š pint C •w./ (6.118)
@w ˇ0
w./ D w0 C •w./ (6.119)
578 6 Boiler Simulation—Simulating the Water and Steam Flow
Inserting the relationships (6.117) to (6.119) into Eq. (6.116) and eliminating the
steady-state values gives us a conditional equation for the perturbation of the average
flow velocity:
ˇ ˇ
d •w @pext ˇˇ @pint ˇˇ
.Iext C Iint / D •w./ (6.120)
„ ƒ‚ … d @w ˇ0 @w ˇ0
I „ ƒ‚ …
b
@pext @pint
< (6.122)
@w @w
In effect, if the slope of the pressure drop/mass flow density curve for the tube
in question (internal characteristic) is less (it thus has a greater negative value) than
that for the entire system (external characteristic), a static instability exists. Thus, if
we know the characteristics of the external system (the pump characteristic curve in
the case of a single tube) and the internal system (pressure loss of the system), the
existence of a Ledinegg instability can be predicted. This dependency of pressure
loss and flow velocity or mass flow density was first described by Ledinegg (1938).
Further work on aperiodic instability was carried out by, e.g., Profos (1947), Chilton
(1957), Profos (1959), Wörrlein (1975), Thelen (1981), Padki et al. (1992), Walter
and Linzer (2004b), Linzer and Walter (2003), Walter and Linzer (2006b), or Walter
and Linzer (2006f).
Figure 6.22b shows the tube characteristics for a channel where a liquid (xD D 0),
gaseous (xD D 1) or two-phase4 (0 < xD < 1) flow through. Two pump
characteristic curves designated as pExt are also shown. The characteristic curve
of a centrifugal pump (referred to as Case 1) intersects the two-phase pressure loss
characteristic curve three times. According to the Ledinegg criterion in Eq. (6.122),
operating point 1 is unstable. A minor perturbation causes the operating point to
change to point 2 or 3. These two operating states meet the criterion specified above
and are therefore stable. Since the mass flow at operating point 2 is less than that
4
When a subcooled liquid enters a constantly heated flow channel and is partially evaporated, the
static pressure in that channel will decrease as the mass flow density increases. This relationship
between pressure drop and mass flow density exists within a specific range for the mass flow
density when the subcooling of the incoming liquid exceeds a certain critical value (Huhn and
Wolf 1975).
6.4 Flow Instabilities 579
of the original operating state, a risk of insufficient heat removal exists. This may
subsequently damage the evaporator tube and consequently also the heat exchanger.
This can be remedied by throttling the pump flow. As a result, we create the pump
characteristic curve described in Fig. 6.22b as Case 2. The overall system now meets
the Ledinegg criterion and is also stable at operating point 1.
The following three factors generally have a stabilizing effect on aperiodic
instability: a reduction in the subcooling of the incoming fluid, an increase in system
pressure5 and the installation of a flow restrictor (throttle) at the tube inlet (where a
single-phase flow still exists). One disadvantage of restricting the flow by a throttle
is that the pressure loss increases quadratically as the load increases—this is due
to the pre-throttle, which must be designed for the most unfavorable load case—so
effective pre-throttling of the flow often leads to high pressure losses at full boiler
load.
Flow Reversal
5
The Ledinegg instability occurs predominantly in low pressure systems.
580 6 Boiler Simulation—Simulating the Water and Steam Flow
Screen wall
Flame
.
m0
.
m1
.
m2
Downcomers
Burner
Convection pass . .
Riser system 1
Riser system 2
q1 q2
Downcomer
0m
Fig. 6.23 Natural circulation boiler with two-pass construction and its simplified model (Walter
2006a)
The pressure difference due to the geodetic height (static pressure) is calculated
thus:
1
pstH D g.Hout Hinl /: (6.124)
v
The average spec. fluid volume in Eq. (6.124) results in the following for a tube
with a constant cross-sectional area A:
Zl
1
vD v.x/dx (6.125)
l
0
6.4 Flow Instabilities 581
a) b)
Pressure difference ,
Pressure difference
pcompl
Steam content
pstH
pstH
pcompl
pcompl
xD
pFric
pFric
pAc
Fig. 6.24 Tube characteristic curves (a) unheated downcomer; (b) heated water tube or riser
l mP 2Flux v
pFric D Fric (6.126)
dhyd 2
or is given by the following equation for the pressure drop in a two-phase flow:
l mP 2Flux vSat 2
pFric D Fric ˚ (6.127)
dhyd 2
The acceleration pressure loss pAc (caused by the increase in volume of the
working fluid in a heated channel) can be approximately calculated in the heated
single-phase area by means of
mP 2Flux v
pmoul D moul (6.129)
2
Relationships for calculating the pressure loss coefficient of molded tube sections
in a single-phase flow can be found in, e.g., Fried and Idelchik (1989), Zoebl and
Kruschik (1982), Truckenbrodt (1983), or Richter (1962). To calculate the two-
phase pressure drop in molded tube sections, please refer to Sect. 2.7.1.
With the aid of the relationships shown above, we can now determine the
individual tube characteristic curves for the simplified model of the two-pass boiler
shown in Fig. 6.23.
Determination of the tube characteristics for an unheated downcomer with a
downflow:
The evaluation of Eq. (6.124) for the static pressure difference provides an almost
constant negative value for all mass flows (curve pstH in Fig. 6.24a). To obtain
the total pressure loss, the respective positive fluid-mechanical energy loss due to
friction, pFric , must now be added to pstH , as per Eq. 6.123. pFric contains both
the pressure loss due to friction and the pressure loss due to the molded sections.
In order to represent the characteristic curve in Fig. 6.24a, however, the pressure
difference as per Eq. (6.123) was not plotted. To obtain positive values for the
curve—and in contrast to Eq. (6.123)—the pressure difference resulting from the
subtraction of the pressure at the tube inlet from the pressure at the tube outlet was
instead plotted.
This results in the following for a downward flow in the unheated downcomer:
as per the relationships mentioned above. The gradients of both pressure drops are
shown in Fig. 6.24b by thin solid lines.
The determination of the tube characteristics for the water tube system must now
take place as per Eq. (6.123), depending on the flow direction of the working fluid.
1. Water tube with upward fluid flow:
An evaluation of Eq. (6.124) for the static pressure drop gives us a positive
value for all mass flows. When we add the individual pressure differences in
Eq. (6.123), the result is the curve pcompl shown as a dotted line in Fig. 6.24b.
2. Water tube with downward fluid flow:
Corresponding to the determination of the downcomer characteristic curve,
the pressure difference (as per Eq. (6.130))—but expanded by the acceleration
pressure drop (as shown in Eq. (6.131) immediately below)—must also be
entered in Fig. 6.24b for the water tube with a downward through-flow.
Subtraction of the fluid-mechanical energy losses pFric and pAc from the
geodetic pressure difference pstH gives us the characteristic curve graph, shown
in Fig. 6.24b by a thick solid line.
All the tube characteristics necessary for the stability analysis of the two-pass
boiler are now available.
In order to determine the mass flow of the fluid flow in the individual tubes of
the boiler, we now have to combine their different tube characteristics. Figure 6.25
illustrates the tube characteristics for the model of the two-pass boiler shown in
Fig. 6.23. The characteristic curve of the downcomer is shown as a solid line, while
the curves of the weakly heated and strongly heated riser tube systems 1 and 2 are
shown as dotted lines. Depending on the direction of flow of the working fluid in
the weakly heated tube system, the mass flows of the two riser systems must now
be added or subtracted (at a constant pressure difference). In the case of a reverse
flow in tube system 1, the curve mP 1 < 0 must be subtracted from the graph of
the strongly heated water tube group 2 (see arrows in Fig. 6.25). If an upward flow
exists, the curve mP 1 > 0 must be added to the characteristics of water tube group 2.
The result is the so-called circulation characteristics (dashed lines) for this natural
circulation system.
For steady-state operation of the boiler, the pressure difference between drum
and header for each of the tube groups shown in Fig. 6.23 must be the same. The
following therefore applies:
In addition to the pressure difference, the mass balance for the header as per
1
m
(Walter and Linzer 2006e)
Pressure difference
m. yste
Do
0
wn
s
1 >
r
co
se
m
Ri
er
m > 2
tem
0
r sys
2
.
Rise
B
C
>0
ic
cte n
ist
ara tio
r
2
m.
ch rcula
0,
>0
teristic
Ci
1 >
ste m 1
charac on
m .
m
.
ti
m1 < 0
Circula
m1 < 0,
y A
Riser s
.
.
Mass flow
must be satisfied. The negative sign in the mass and energy balance of the header
is used in the weakly heated tube system 1 in the case of a reverse flow. The flow
direction is counted as positive if it runs counterclockwise.
The potential and kinetic energies of the incoming and outgoing mass flows
in the header are disregarded in Eq. (6.134). The header is considered as being
adiabatic. The enthalpy at the inlet into the riser—which we need to calculate the
riser characteristic curve—is equal to the spec. enthalpy of the working fluid in the
header. The outlet enthalpy of the fluid from the drum (necessary for the calculation
of the characteristic curves of tubes with a downward mass flow—for example, the
downcomer characteristic curve) can be calculated with the help of Eq. (6.101).
An exact determination of the inlet enthalpies from the balance equations (6.134)
and (6.101) leads to an intensive complication of the graphical solution. According
to Stribersky and Linzer (1984), an approximate determination of the enthalpies
is sufficient, since the resulting deviations change the characteristic curves only
slightly.
If we look at the circulation characteristics for upward flow in the two risers in
Fig. 6.25 (designated with mP 1 > 0 and mP 2 > 0) and the downcomer characteristics,
we can see that these intersect once at point A. Point A satisfies both the mass
balance (6.133) and the energy balance (6.134), as well as the condition for
6.4 Flow Instabilities 585
an equally pressure difference in the individual tube groups (Eq. (6.132)), thus
providing a stable solution for the desired mass flow circulation. The associated
mass flows in the individual tube systems mP 0 , mP 1 , and mP 2 and the pressure difference
p that occurs can be read from the corresponding abscissa or ordinate.
In the case of a reverse flow in the weakly heated water tube group 1, the
circulation characteristic curve designated by mP 1 < 0 and mP 2 > 0 is used. As
can be seen in Fig. 6.25, this curve intersects twice (at points B and C) with the
characteristic curve of the downcomer. Both of these points represent a possible
solution for the water circulation of the boiler in question, thus satisfying the
equations (6.132) and (6.133). The pressure difference found in point C and its
associated mass flows make this an unstable solution.6
If the heat flow density fed to the weakly heated water tube system 1 is increased,
the circulation characteristic curve will shift in the direction of lower mass flows and
pressure differences. This results in the intersection points of the two solutions B and
C approaching one another. The point at which the two solutions B and C merge
represents the limit value for a unique direction of flow of the fluid in the weakly
heated tube system 1. If the heat flow density qP1 (absorbed by water tube group
1) is heated beyond this limit value, an intersection point between the downcomer
characteristic curve and the circulation characteristic curve mP 1 < 0 and mP 2 > 0 will
no longer exist. In this case, no reverse flow is possible in the system in question.
We must therefore switch to the circulation characteristics of the water tubes for
mP 1 > 0 and mP 2 > 0.
As the above shows, the graphical method for determining the water circulation
mass flows and the pressure difference between the drum and the header is very
illustrative; but it is also very time-consuming. If we wish to perform parameter
studies to obtain, e.g., criteria for the design of a boiler, this must be carried out
using the numerical simulation—however, only stable solutions can be found using
a numerical system analysis. In the following paragraphs, some results of such a
numerical system analysis (steady-state and dynamic) are shown, as illustrated in
Linzer and Walter (2003), Walter (2006a), Walter and Linzer (2006c), or Walter and
Linzer (2006d) (et alia).
Figure 6.26 shows the mass flows in individual tube groups as the result of a steady-
state stability analysis of the two-pass boiler shown in Fig. 6.23. The heat flow
density for riser system 2 was kept constant at qP2 D 320 kW/m2 , while the heat
flow density for riser system 1 was varied. A negative sign before the mass flows in
Fig. 6.26 indicates a flow direction from drum to header. heat denotes the heating
6
It should be noted at this point that the graphical method does not allow conclusions to be made
as to whether any solution found is stable or unstable. Other methods of testing must be used, such
as the numerical system analysis (which can only find stable solutions).
586 6 Boiler Simulation—Simulating the Water and Steam Flow
-50 0 1 2
qP2
heat D (6.135)
qP1
In Fig. 6.26 we can now see that there is only one solution (A) with an upward
mass flow in both riser systems (up to a heating ratio of heat D 7). At heating ratios
greater than 7, two stable solutions (A and B) and an unstable solution (C) for the
water circulation are possible. As already noted above, the unstable solution (C)
cannot be found using a numerical method—it was determined using the graphical
method. The heating ratio of heat D 7 thus represents the critical heating ratio
heat;crit between a stable upward flow in the two riser systems 1 and 2 and a possible
reverse flow in the weakly heated riser group 1.
The complete solution for the mass flow in the weakly heated tube group mP 1 is
shown for all possible heating ratios in Fig. 6.27—we can see that a reverse flow is
possible for all heating ratios heat > 7 (point C), at a constant heat flow density for
riser system 2 of qP2 D 320 kW/m2 .
With decreasing total heat flow density, the critical heating ratio heat;crit also
decreases (see point D in Fig. 6.27).
By using the steady-state simulation, we were able to find the two possible stable
solutions (A and B) for the water circulation in the weakly heated tube group.
However, a steady-state system analysis can only provide results for steady-state
operating conditions. As Linzer and Walter (2003) was able to illustrate, a correct
steady-state solution is no guarantee for the safe operation of natural circulation
boilers with unevenly heated water tubes under all operating conditions. In order to
6.4 Flow Instabilities 587
2
q 2= 75 kW/m
p = 80 [bar]
.
m1 [kg/s]
dru
10
320
10 0
300
20 0
0 0
.
q [kW/m ]
2
1 D
-10 75
100
.
q 2= 320 kW/m 2 -20
200
C 300
320
heat =1 heat=2 heat=5 heat=10
.
q [kW/m ]
2
2
Fig. 6.27 Stability surface for the two-pass boiler (Linzer and Walter 2003)
predict the transient behavior of the boiler shown here, we must determine this with
the aid of a dynamic system analysis.
To investigate the transient behavior of the two-pass boiler, we need more infor-
mation than is necessary in the case of a stationary analysis—information such
as initial conditions or the temporal course of the boundary conditions. For the
simulation results shown below, it was assumed that the two-pass boiler went
through a hot start (the boiler had been switched off for a few hours before the
new startup, but that system pressure was maintained). As an initial condition for
the dynamic simulation of the startup process, it was assumed that drum pressure
did not decrease while the boiler was down and that the water in the drum was
in a state of boiling. The working fluid in the tube system is at rest, and the
pressure distribution corresponds to that which is established on the basis of gravity
distribution. The temperature in the entire tube system of the evaporator is equal
to the saturated water temperature at drum pressure. The drum pressure was kept
constant throughout the entire simulation. The heating ramp for the individual tube
groups was selected according to Linzer (1970) and is shown in Fig. 6.28. A uniform
588 6 Boiler Simulation—Simulating the Water and Steam Flow
6000
4000
Heating [kW]
Riser system 2
2000
Riser system 1
0
0 200 400 600 800
Time [s]
Fig. 6.28 Heating ramp for the two-pass boiler (Walter and Linzer 2006d)
60
Riser system 2
40
Mass flow [kg/s]
Downcomer
20
0
Riser system 1 p = 80 [bar]
dru
Q = 4.8 MW
-20
heat
=9
heat = 9.5
-40
0 200 400 600 800
Time [s]
Fig. 6.29 Mass flow distribution in the two-pass boiler (Walter and Linzer 2006d)
heat flow distribution was assumed throughout the tube lengths of both tube systems.
The ramp-like increase in heating for riser system 2 (up to about 30 % of the full
load within the first 30 s after the hot start) corresponds to the ignition of the burners.
Heating is then maintained at a constant level. 150 s after the start of the simulation,
the heat supply to the water tubes is increased (in ramp-shaped manner) until full
load is reached after D 400 s.
Figure 6.29 shows the development of the mass flow in the individual tube groups
of the boiler in question. The simulation was performed for a system pressure of 80
bar, a total heating of 4.8 MW and a heating ratio of heat D 9 (solid line) and
heat D 9:5 (dashed line).
As can be seen in Fig. 6.29, the temporal development of the mass flow during
the first 400 s is almost identical for the two analyzed heating ratios. Deviations in
the development of the mass flows only arise in the individual corresponding tube
systems with the onset of steam formation in weakly heated water tube group 1. The
6.4 Flow Instabilities 589
1.50
Riser system 1
Pressure difference [bar] 1.40 pstH
1.30
pdru,hd
pdru,hd
1.20
1.10
heat
=9
pstH
1.00 heat = 9.5
p = 80 [bar]
0.90 dru
Q = 4.8 MW Riser system 2
0.80
0 200 400 600 800
Time [s]
Fig. 6.30 Pressure loss in the tubes of a two-pass boiler (Walter and Linzer 2006d)
20
ratio heat,crit [-]
critical heating
15
10
5
0
heat,crit = 5
8
7
80
70
6 atin
H
60
e
5 g[
50
4 W
40 ar]
re [b
3 ]
30
M
su
20 Pres
2
10
1
Figure 6.31 shows the critical heating ratios heat;crit for the boiler design shown
in Fig. 6.23, but with differing amounts of supplied total heat flow densities and
system pressures. In order to achieve a stable water circulation,7 a heating ratio of
heat;crit 5 (see dashed line in Fig. 6.31) is set as a design criterion; and we can
see in Fig. 6.31 that this criterion is not satisfied within the range of low heat flow
densities throughout the entire pressure range in question. The design of the boiler
must be modified if it has to work (during partial load operation) within the range
of low total heat flow densities.
In the design of natural circulation boilers, it is not only a stable water circulation
that is important, but compliance with other important variables is also necessary.
One important factor for natural circulation boilers is the circulation number UD .
Since this ratio is a function of the operating pressure and the boiler capacity, its
values must not be too small (see Table 6.1).
Also of great importance for boiler design is the velocity of the working fluid
in the boiler’s individual components. Within a certain temperature range, a fluid
velocity that is too high can lead to erosion corrosion (cf. Loos and Heitz (1973),
Heitmann and Kastner (1982) or Kastner et al. (1984)). According to Keller (1974),
the effects of temperature on material loss are described by a bell-shaped curve.
Under wet steam conditions, this curve has a clear maximum at around 180
ı
C, dropping sharply at a higher or lower temperature. Here the position of the
maximum depends on the steam content of the flow medium and its height depends
on the chromium content of the working material. Bohnsack (1971) was able to
confirm this behavior in his studies. However, he did limit this by adding that the
maximum depends on the catalytic properties of the metal surface and may be
within a range of 170 to 250 ı C. According to Effertz et al. (1978), the maximum is
7
A stable water circulation describes a flow direction of the working fluid from the lower header
to the drum in all water tubes.
6.4 Flow Instabilities 591
between 150 and 200 ı C. Kastner et al. (1984) found in tests that the maximum lay
between 140 and 150 ı C.
Loos and Heitz (1973) state that the flow rate is the critical parameter for the
erosion corrosion process and that material loss through erosion corrosion only
starts when a critical velocity is exceeded (see Kelp (1969), Loos and Heitz (1973)).
This was confirmed in tests conducted by Kastner et al. (1984). They found that
in the range of low flow rates, the process of flushing away the iron II hydroxide
dissolved from the material took place more slowly than the conversion of Fe(OH)2
in the martensite deposited on the metal walls. In contrast, however, Kastner et al.
(1984) also state that at an increased velocity, the removal mechanism is dominant
due to the greater momentum exchange between the boundary layer and the core
flow.
For the sake of completeness, it should be noted that in addition to the flow
velocity and the fluid temperature, the choice of material and the water chemistry
(pH value of the water) also have a significant influence on erosion corrosion. For
further information on erosion corrosion, please refer to the relevant literature, e.g.
Keller (1974), Schröder (1979), Heitmann and Kastner (1982), or Kastner et al.
(1984).
Erosion corrosion can usually be lessened by reducing the fluid’s flow velocity.
This is why guidelines were put in place for the flow velocity of the working material
in the design of boilers—the velocity of the water-steam mixture in the risers, for
example, should not exceed approx. 12 m/s and the fluid velocity in the downcomers
should not exceed around 4 to 4.5 m/s.
Figure 6.32 shows the fluid velocity in the strongly heated riser system 2 of a
two-pass boiler plotted over the pressure and heating range in question. A line with
the constant fluid velocity of 12m/s is included in the diagram and as we can see,
the flow velocity in the riser over a large working range corresponds to the general
design criteria.
10 15 20 25
Velocity [ m/s ]
w=12m/s
5
0
8
7
80
6
H
70
ea
5 g [M
60
ti
4 W
n
50
3 ]
40 bar]
re [
2
30
20 ressu
1
P
10
0
Fig. 6.32 Velocity of the working material in the strongly heated riser system
592 6 Boiler Simulation—Simulating the Water and Steam Flow
Boiling Instability
Boiling crisis instability is caused by a change in the heat transfer mechanism and
is characterized by a very sharp rise in the wall temperature. Tong et al. (1966),
Tong (1968), and Kutateladze and Leont’ev (1966) assume that the hydrodynamic
and heat transfer relationship near the wall of a subcooled liquid or of a fluid with
low steam or gas content is the boundary layer separation during the boiling crisis.
According to Tong and Tang (1997), however, definitive experimental evidence on
this is still lacking today.
This form of instability mainly occurs when the flow conditions are close to the point
of transition of the flow pattern from a bubble flow to a slug flow or annular flow.
The triggers for this may be small perturbations in the volume flow, which, however,
can lead to a temporary reduction of the liquid flow and an increase in the flow’s gas
content—which is associated with a change in the flow pattern. An annular flow is
characterized in that it has a significantly lower pressure drop than that of a bubble
6.4 Flow Instabilities 593
8
Compound dynamic boiling water reactor instability (BWR instability) is not included in this
overview, since it does not apply to plants fired with fossil fuels.
594 6 Boiler Simulation—Simulating the Water and Steam Flow
Acoustic Instability
In systems that use a more intensively subcooled medium under operating condi-
tions, acoustic or pressure wave oscillations evince a relatively high frequency (an
order of magnitude from 10 to 100 Hz) in the primary perturbation that arises (Bouré
et al. 1973). Bishop et al. (1964) measured audible frequencies of 1000 to 10000 Hz
in tests performed within the supercritical pressure and temperature range. Due to
the high frequency, the amplitudes of the oscillations are generally relatively low. If
interference and resonance cause the perturbation to decrease and the amplitude to
increase, however, this may have a significant impact on the system (Bergles et al.
1967).
A summary analysis of the acoustic instability is given by Davis and Potter
(1967).
The density wave oscillation (DWO) is the most common type of flow instability
in two-phase systems. An operating condition like this can occur in both natural
and forced circulation systems. This is why numerous studies have been carried
out by Lee and Ishii (1990), Su et al. (2001), Nayak et al. (2000), Guanghui et al.
(2002), Baars (2003), Yun et al. (2005), Walter et al. (2005a), or Walter and Linzer
(2006c) (natural circulation systems) and by Takitani and Takemura (1978), Takitani
and Sakano (1979), Ünal (1982), Wang et al. (1994), or Karsli et al. (2002) (forced
circulation systems), firstly to understand the physical mechanisms of DWO and
secondly, to analyze the effects different parameters (e.g., system pressure, tube
length, the incorporation of throttle mechanisms in the tube inlet or outlet) have
on it.
The instability is the result of multiple feedback effects between mass flow, steam
production, and the pressure drop in a heated channel. A fluctuation of the mass flow
at the channel inlet causes a perturbation of enthalpy, which in turn propagates in
the single-phase flow zone. The location of the start of evaporation responds to the
perturbation with an oscillation, which is dependent on the amplitude and frequency
of the enthalpy fluctuation. If the fluctuation of the enthalpy reaches the two-phase
zone, the perturbation will appear as quality and void-fraction perturbations. These
fluctuations move with the flow in the channel, affecting pressure drop and heat
transfer behavior. The combination of the perturbations of the quality and void-
fraction and the change in length of the two-phase zone in the heated tube cause
pressure drop fluctuations in the zone of the coexisting phases. If the total pressure
drop in the channel is predetermined by the external characteristics of the channel,
the fluctuation in the two-phase pressure drop causes a feedback pressure loss in
the zone of single-phase flow with the opposite sign. This in turn can lead to
fluctuations in the inlet mass flow. For certain combinations of system geometry
6.4 Flow Instabilities 595
and operating and boundary conditions, the perturbation can cause a 180o phase
shift of the pressure fluctuation at the outlet, which in turn can lead to a self-
excitation of the mass flow fluctuations at the inlet (Tong and Tang 1997). It is
therefore a unstable, transient operating condition given. The finite speed at which
the perturbations of the volumetric steam fraction and the enthalpy move through
the channel is the cause of the phase shift of the two-phase pressure drop and the
cause of the fluctuation of the mass flow at the single-phase channel inlet. And
according to Yadigaroglu and Bergles (1972), the effects of inertia also contribute to
the phase shift. According to Ding et al. (1995), the pressure and mass flow density
oscillation of the DWO located at the channel inlet are in phase. Further literature
on the mechanism of DWO can be found, e.g., in Yadigaroglu and Bergles (1972),
Yadigaroglu (1981), and Tong and Tang (1997).
Fukuda and Kobori (1979b) were able to show experimentally and analytically
that two different types of DWO (types I and II) exist. By using the dimensionless
phase-change number
QP %f %g
Npch D (6.136)
Awinl %f r %g
hf hinl %f %g
Nsub D (6.137)
r %g
we can specify a stability diagram for a heated flow channel into which a subcooled
liquid flows for both types of DWO (as shown schematically in Fig. 6.33). For
the variables designated by the indices f and g in Eqs. (6.136) and (6.137), the
corresponding values on the boiling and dew line should be used.
According to Fukuda and Kobori (1979b), Type I instability dominates if a low
mass flow steam content is given at the heat exchanger outlet, while the DWO that
I)
yp
D=
(T
le
2002)
ab
st
Un
Unstable
(Typ II)
Stable
corresponds to Type II occurs in the case of a relatively high mass flow steam content
and a smaller subcooling number. Baars (2003) found the mechanisms of the two
types of DWO to be similar. Type II DWO is known in the relevant literature as the
typical density wave oscillation (Furuya et al. 2002).
As discussed above, many theoretical and experimental studies have been
performed to analyze the effects of different system parameters on the DWO. The
effects of the most important parameters are briefly explained below:
• System pressure:
Increasing operating pressure at a constant heat supply has a stabilizing effect on
the DWO (Wang et al. 1994; Walter et al. 2005a; Mathisen 1967; Walter 2006a,
2007b). The increasing pressure causes a reduction in the production of steam,
which in turn results in a reduction of the two-phase pressure drop. This effect is
equivalent to a reduction of the heat supply or an increase in the mass flow.
• Throttling of the fluid at the tube inlet or outlet:
Throttling the working fluid at the tube inlet increases the single-phase pressure
drop, which attenuates the rising mass flow, thus increasing the stability of the
system. An increase in the two-phase pressure loss through the implementation of
a baffle at the end of the heated flow channel decreases system stability, since this
is not in phase with the change of the mass flow at the channel inlet (Anderson
et al. 1962; Wallis and Heasley 1961; Walter and Linzer 2004a, 2006c).
• Flow rate and heating:
Increasing the flow rate or reducing the heating has a stabilizing effect on the
circulating system (with given geometry), since both of these measures reduce
the steam content at the outlet of the flow channel.
• Subcooling at the inlet:
Subcooling of the fluid at the inlet has a stabilizing effect in the case of a high
level of subcooling, and a destabilizing effect if subcooling is at a lower level.
If the fluid at the inlet of the evaporator tube is being increasingly subcooled,
a decrease in the void fraction will take place, consequently leading to an
expansion of the single-phase zone in the tube (Yadigaroglu and Bergles 1972;
Wang et al. 1994).
Further studies have been carried out to ascertain the effects on DWO of gravity
(Mathisen 1967), tube length (Mathisen 1967; Crowley et al. 1967) and of the
bypass ratio of parallel tubes (Kakaç et al. 1974; Veziroglu and Lee 1971; Carver
1969). Studies on the higher orders of DWO associated with a sudden change of
period length and flow pattern (Yadigaroglu and Bergles 1969, 1972) have also been
performed. Summaries can be found in Bouré et al. (1973), Ishii (1982), Yadigaroglu
(1981), or Tong and Tang (1997).
6.4 Flow Instabilities 597
Thermally induced instability was first described by Stenning and Veziroglu (1965).
This form of instability is created as a thermal response of the heated wall after
dryout. In this zone, the heat transfer changes between film boiling and transition
boiling at a given point and this causes a high amplitude in the wall temperature
oscillation (with a constant heating level). The oscillation in this case has a cycle
duration in the order of magnitude between 2 and 80 s (Bouré et al. 1973). In
contrast, the amplitudes and periods of pressure and mass flow oscillation are very
slight. Thermally induced instability usually occurs in association with a DWO.
Studies on this form of perturbation have been carried out by Ding et al. (1995),
Mayinger and Kastner (1968), Mentes et al. (1989), Kakaç et al. (1990), Padki et al.
(1991a), Padki et al. (1991b), and Wedekind (1971).
A heat exchanger or tube bundle consists of numerous, equally long, heated tubes
switched in parallel. These tubes are connected to one another by headers (see
Fig. 6.34). Under stable operation conditions, the same mass flow occurs in all
tubes because the pressure difference is the same between the two headers. We only
refer to a parallel tube instability when a perturbation in one of the tubes causes an
interaction between the individual parallel flow channels of a tube group like this.
This form of instability can occur in both natural and forced circulation systems and
in single phase flow as well as two-phase flow systems.
Zvirin et al. (1981) carried out theoretical and experimental studies on a natural
circulation system consisting of two parallel tubes. They documented flow insta-
bilities under various transient conditions, accompanied by oscillations and reverse
flows. In a two-tube system, Gouse and Andrysiak (1963) observed flow oscillations
which evinced a phase shift of 1800 . Freon 113 was used as a working medium in
this case. Chato (1963) presented steady-state experimental and analytical results
for a natural circulation system comprised of three vertical, parallel flow channels,
which were heated in different ways. The existence of a critical heating for the tube
register in question was proven during the study. Exceeding this critical heating
leads to metastable and unstable flow conditions. Takeda et al. (1987) included
yet another flow channel in their experimental and analytical studies of Chato’s
arrangement. They found that in natural circulation systems with a larger number of
parallel tubes and with different temperatures, the mass flow and the flow direction
are not dependent on the supplied heat flow alone, but also on the history of
the channel temperature. Gerliga and Dulevski (1970) developed a characteristic
equation for the calculation of parallel tube stability. Fukuda and Hasegawa (1979a)
studied different modes of oscillation with the aid of a matrix technique.
Further studies on parallel tube instability have been carried out by Veziroglu and
Lee (1969), Aritomi et al. (1977), Aritomi et al. (1979), Chen and Kasza (1981),
Podowski et al. (1983), Aritomi et al. (1983), Aritomi et al. (1986a), Aritomi et al.
(1986b), Hellwig (1988), Ozawa et al. (1989), Clausse et al. (1989), Duffey et al.
(1993), Rassoul et al. (2005), and Minzer et al. (2006). A detailed description of the
phenomenon of parallel tube instability is given by Reinecke (1996).
p1 p2 D amP 1 (6.138)
and
p2 p3 D f .mP 2 / (6.139)
6.4 Flow Instabilities 599
a) Pressure reservoir b)
Pressure difference
p m2
3 m1
B
C
A P
Heated tube
Storage
volume E
D
p
1 p
2
m1 m2
Fig. 6.35 Two-phase system (a) Flow system; (b) Pressure difference-mass flow-characteristic
curve
Here p1 and p3 represent the pressures in the two pressure reservoirs and p2
expresses the pressure in the storage volume. mP 1 and mP 2 denote the inlet and
outlet mass flow for the storage volume. In the steady-state case, the relationship
mP D mP 1 D mP 2 must apply for the two mass flows at every operating point. The
constant a in Eq. (6.138) represents the frictional pressure loss of the flow between
pressure reservoir 1 and the storage volume. f .mP 2 / denotes a function which relates
the system pressure loss of the heated flow channel to the inlet mass flow mP 2 .
Figure 6.35b illustrates the associated characteristic curves for constant pressures
p1 and p3 . The graph designated by mP 1 represents Eq. (6.138) (pump curve), while
the curve marked with mP 2 represents Eq. (6.139) (steady-state system pressure loss
of the heated flow channel). The operating point P of the system under consideration
results from the intersection of the two characteristic curves, which is within the
range of the negative slope of the heated evaporator tube’s characteristic curve. A
small perturbation of the mass flow mP 1 causes an intensive reduction of the mass
flow mP 2 through the heated flow channel along the line PA. If the mass flow mP 1 is
not changed by the pump, an imbalance is created between the two mass flows and
mass is stored in the storage tank. This results in a dynamic instability, the air in the
storage tank is compressed and the pressure p2 increases. This causes the operating
point to move along the system characteristic curve from point A to point B. A stable
intersection of the two curves is not given at point B—so the process is not stopped.
Due to the continuing imbalance between the inlet and outlet mass flows of the
storage tank (mP 1 > mP 2 ), the operating point jumps to point C along the line BC. At
this C point, more fluid mass is now removed from the storage tank than is supplied
to it (mP 1 < mP 2 ). This results in decompression of the air in the storage tank, the
pressure p2 decreases and the operating point jumps along the tube’s characteristic
600 6 Boiler Simulation—Simulating the Water and Steam Flow
curve from point C to D. At point D, the mass flow mP 2 is still greater than mP 1 , the
operating point jumps along the line DE to point E and the process is now repeated
along the line ABCDEA.
This model represents the general phenomenon of pressure drop instability.
Attenuating effects are exerted through the inertia of the flow, friction and other
losses. In a real cycle, however, the mass flow does not change excursively—the
vertices of the idealized cycle are instead rounded off (represented by the dotted
line in Fig. 6.35b).
If the compressible volume is arranged ahead of the heated channel, the
oscillation can be attenuated by implementing a throttle at the channel inlet. If
the compressible volume is located within the heated flow channel, however, the
installation of a throttle will have no effect on instability.
The frequency of the oscillation is dependent upon the time constant of the
compressible fluid and independent of the time a fluid particle takes to pass through
the flow channel (compare the DWO in Sect. 6.4.2). The period time of pressure
drop instability is generally longer than that of the DWO. According to Ding
et al. (1995), the pressure and mass flow density oscillations of the pressure drop
instability at the entry into the heated flow channel are not in phase.
Studies on pressure drop instability have been carried out by Guo et al. (2002),
Stenning et al. (1967), Ozawa et al. (1979), Krasykova and Glusker (1965), Cao
et al. (2000), Ozawa et al. (1984), Padki et al. (1991a), Padki et al. (1991b), Padki
et al. (1992), Narayanan et al. (1997), Kakaç and Liu (1991), Lin et al. (1991a), Liu
et al. (1995), Cao et al. (2001), Guo et al. (2001), Dogan et al. (1983), Daleas and
Bergles (1965), and Srinivas and Pushpavanam (2000).
Chapter 7
Power Plant Simulation—Transient
and Steady-State
The first calculation programs for power plant cycles were developed in the early
1960s. In 1973, a method for cycle calculation was presented by Dittmar (1973). Its
key characteristic is the manner in which a cycle is constructed numerically to make
it accessible to the computer—the cycle is resolved into its individual components,
which are numbered with codes and the connecting lines are also systematized with
codes. In this way, the whole cycle can be represented as a sequence of numbers and
interpreted by the computer. This approach has mainly been retained in most cycle
calculation programs to date (see also Chap. 1 and Sect. 7.2.2).
More recent work by university departments in this field was introduced by
Stamatelopoulos (1995) and Witkowski (2006) in their steady-state simulation
projects. Witkowski set up an implicit non-linear system of equations and this opens
up the possibility of defining certain variables, while the program calculates all the
others. Parallel to Stamatelopoulos, Rohse (1995) developed a simulation program
for transient procedures, based on the finite volume method (FVM). The work of
Rohse was greatly expanded by Döring (1995), Löhr (1999), Ponweiser (1997),
and Walter (2001). In addition to Rohse and his successors, there are more variants
of transient simulation, such as those presented by Gebhardt (1986) and Dymek
(1991). They dispense with the FVM, setting up model equations based on state
space representation.
Table 7.1 The data of the table is taken from the work of Giglmayr et al. (2001) and Witkowski
(2006)
Program Developer
APROS Technical Research Center of Finland (VTT),
Imatran Voima Co (IVO)
Aspen Aspen Technology, Inc.
Dampfkessel-Simulator Christian Daublebsky, www.voneichhain.de
DBS Vienna University of Technology,
Inst. for Energy Systems and Thermodynamic
DNA/PREFUR TU of Denmark,
Department of Energy Engineering
Dora ALSTOM
Dymola (Modellica) Dynasim
Ebsilon Softbid GmbH
E600 ALSTOM
ENBIPRO TU Braunschweig,
Inst. of Energy and Process Systems Engineering
Gate Cycle GE Enter Software LLC
GT PRO-GT MASTER Thermoflows, Inc.
IPSEpro SimTech Simulation
KPRO CADIS Information systems
KRAWAL Siemens
MASSBAL Open Models Inc.
MATLAB The MathWorks, Inc.
MISTRAL TU Darmstadt,
Department of Energy Systems and Technology
PEPSE SCIENTECH, Inc.
Proates POWERGEN, Power Technology
Prosim EnDat Finland
STEAM PRO-STEAM Master Thermoflow, Inc.
Thermoflex Thermoflow, Inc.
Vali BTB-Jansky GmbH
WÄSCHERE Techn. Software Development Prof. Rabek
components have to be modeled by the user. The orientation of the programs also
differs. Common applications are (see Fig. 1.2):
• Steady-state simulation for (optimal) design of the components (e.g., the heating
surface size, etc.)
• Steady-state simulation (part load/full load) with given components (e.g., with
given heating surface size, etc.)
• Transient simulation (with given components, including regulation and control)
• Validation and monitoring (with given components).
While the first three options are essentially used by the manufacturers, the fourth
option is used by plant operators or by the manufacturers for experience feedback.
604 7 Power Plant Simulation—Transient and Steady-State
In general, the steady-state power plant simulation serves to define the input and
output parameters of power plant components such as boilers, turbines, condensers,
and pumps, based on some predefined data and/or to verify the interaction of
fixed components. Until a few decades ago, separate ordering of these components
was common and without simulation this could lead to surprises. Part loads and
overloads are also calculated. See also Figs. 1.1 and 1.2.
This component has an inlet and an outlet and is used especially for the modeling
of heat losses.
7.2 Steady-State Power Plant Simulation 605
Combustion Chamber
The combustion of the supplied fuel takes place in the combustion chamber.
In addition to the fuel flow, this component has another inlet mass flow and an
outlet mass flow. The other inlet flow is generally an air flow, while the outlet flow
consists of flue gas. The fuel mass flow is mostly a predetermined constant for the
system of equations and it does not belong to the solution vector.
The following applies for the mass balance:
The Combustion calculation (see Chap. 4) can be done, e.g., by the equations
given in the reference book published on behalf of the German trade association
FDBR (Brandt 1999a). In this case the type of fuel, the fuel mass flow, and
the excess air coefficient are given. The combustion calculation gives us the
composition of the flue gas after the combustion chamber. In addition to the mass
balance, the balance of the individual substances is also set up.
The sum of the source–sink terms Si must be zero and the enthalpies in the energy
balance must be calculated for the corresponding mixtures.
The pressure in the combustion chamber is mostly atmospheric and constant.
This does not apply to gas turbine combustion chambers and motors. In the latter
case, the pressure is not constant.
This component has two inlet flows and an outlet flow. The following applies for the
mass and energy balance:
Feedwater Tank/Deaerator
A feedwater tank stores feedwater in order to control the feedwater flow in the short
term (independent of the buildup of condensate) and in case an incident occurs. The
storage capacity is usually designed to handle a few minutes of full-load operation
time of the boiler. The feedwater tank has a maximum of two inlets and two outlets
and is modeled as a mixing preheater.
The following applies for the mass balance:
and the same pressure is assumed for all the inlet and outlet flows.
This component has two outlet flows and one inlet flow. The temperatures of all
the flows involved are equally high or low. The following applies for the mass and
energy balance:
Without the separation of individual substances, the enthalpies of the three flows
involved are also equal.
A certain species i of a gas mixture can also be removed. The materials balance
of the individual species must then be satisfied:
In this case, the enthalpies of the flows involved are different, because in the case
of gas mixtures, the enthalpy is the sum of the enthalpies of the mixture components:
X
0 D h C .Yi hi / (7.17)
If the composition of the gas mixture is changed, this generally results in a change
in the enthalpy of the mixture.
The pressure is constant, or a pressure loss or resistance coefficient is given.
In once-through boilers, the cyclone is located at the evaporator outlet. It is used for
water-steam separation during startup and in partial-load operation with circulation
(usually at up to 25 % or 40 % load). The cyclone has one inlet flow and two outlet
flows.
The following applies for the mass balance:
steam and the carry-over of steam bubbles in the boiling water must be addressed by
means of appropriate expansions of the mass and energy balance and of the enthalpy
calculation of the outlet flows. We also require equations for the fraction of boiling
water in the steam outlet flow and for the fraction of saturated steam in the water
outlet flow.
It is assumed that all the input and output flows have the same pressure, or a
pressure loss or resistance coefficient is given.
The Drum
The drum separates the incoming feedwater from the economizer (this water may
be subcooled water, boiling water, or a water-steam mixture)—and the incoming
water-steam mixture from the risers of an evaporator—into water and steam. The
liquid water is distributed to the downcomers, while the saturated steam is fed to the
first superheater. The drum has two inlets and two outlets (see also Sect. 6.3.3).
Under steady-state conditions, the following applies for the mass balance:
For an incomplete separation of boiling water and saturated steam, the same
applies as in the case of the cyclone.
It is assumed that all the input and output flows have the same pressure, or a
pressure loss or resistance coefficient is given.
Steam Turbine
The following applies for the mass and energy balance of a turbine segment:
The power generated can be calculated with the aid of the isentropic efficiency
isen .
hinl hout
0 D
isen C (7.28)
hinl hout;isen
0 D sinl C sout;isen (7.29)
The change in pressure in the turbine segment is specified at rated load and
calculated as per Stodola at part load. The inlet pressure pinl is determined in relation
to the design mass flow and the design pressure. For details, see Kestin (1982) and
Traupel (1988).
s .nC1/=n
pout
1
pinl pinl
0 D mP C mP 0 s (7.30)
pinl;0 pout;0 .nC1/=n
1
pinl;0
pout
ln
p
nD inl (7.31)
pout Tout
ln ln
pinl Tinl
Gas Turbine
The cooling air requirement of the gas turbine is dependent on the inlet
temperature. Wang and Leithner (1995) developed an empirical formula (based on
data from the ABB Company) which calculates the cooling air mass flow (as a
fraction of the total air sucked in) in the design point with a satisfactory degree of
accuracy (Wang and Leithner 1995).
Palmer and Erbes (1994) suggest the following equation for the cooling air mass
flow at part load:
r ˇ
p T0 ˇˇ
0 D mP cool C mP cool;0 ˇ (7.34)
p0 Tˇ
cooling air
The energy balance and the expansion equations are set up as in the case of the
steam turbine. In similar fashion to the steam turbine, a relationship for calculating
the isentropic efficiency at part load is proposed.
Pth;GT
isen D
isen;0 0:1929 C 0:8071 (7.35)
Pth;GT;0
7.2 Steady-State Power Plant Simulation 611
The compressor is a component of the gas turbine plant—it compresses the combus-
tion air supplied to the combustion chamber of the gas turbine (see “Gas turbine”).
The forced draft fan (FD fan) charges “fresh” air into a boiler’s combustion chamber
via air preheaters. Only gas or oil-fired furnaces can do without an ID fan (apart
from a few exceptions) because with these fuels, the combustion chamber can be
so effectively sealed that no flue gas can escape into the boiler house, even at the
low excess pressures at which these furnaces operate. The ID fan creates a certain
amount of negative pressure in the combustion chamber by sucking the flue gas out
of the chamber and forcing it through the stack into the atmosphere. In old plants,
the stack draft alone is sufficient for this purpose. Without an induced draft, excess
pressure would prevail in the combustion chamber—and in the case of solid fuel-
fired furnaces this is generally avoided to prevent problems with leaking flue gas
at sliding connections between air- and pulverized-fuel-ducts and the burners at the
hopper slot for the ash removal. Both fans are modeled as compressors.
The compressor (Kosmowski and Schramm 1987) has one inlet flow and one
outlet flow.
The following applies for the mass and energy balance:
hout;isen hinl
0 D
isen C (7.38)
hout hinl
0 D sinl C sout;isen (7.39)
In this equation, cp is the spec. heat capacity for the average temperature of the
medium T D .Tout C Tinl /=2 and ˝compr is the dimensionless ratio:
K
˝compr D ˘
pol;compr 1 (7.41)
ln ˘
pol;compr D K (7.42)
˘ 1 K
ln C1
isen;compr
Since the physical characteristics are dependent on temperature and the outlet
temperature is still unknown at the beginning of the calculation, an iteration is
required to determine the performance of the compressor. The outlet temperature
results from the following:
Pumps
Pumps are used in several locations for transporting media in power plants.
Condensate pumps force the condensate (which accumulates in the condenser)
through the low-pressure economizer into the feedwater tank. The feedwater pump
then pumps the water from the feedwater tank through the boiler to the turbine.
A pump has one inlet flow and one outlet flow. In principle, the same equations
apply as in the case of compressors.
Throttle Point
An isenthalpic pressure reduction takes place in a throttle point and this generally
causes a change in temperature—the Joule–Thomson effect, which is used to
describe flow losses. This component has one inlet flow and one outlet flow.
The following applies for the mass balance:
Heat Exchangers
The product of the heat transfer coefficient and the heat transfer surface kA can be
calculated with the average temperature difference #m from Eq. (7.49). For certain
types of heat exchangers, #m can be determined using, e.g., dimensionless ratios
(VDI-Wärmeatlas 2006; Lechtenbörger and Leithner 1997). For concurrent and
counter-current heat exchangers, #m must be calculated as the average logarithmic
temperature difference #log in accordance with the following simple equation (see
also Sect. 2.9):
#sm #gr
#log D (7.50)
#sm
ln
#gr
614 7 Power Plant Simulation—Transient and Steady-State
#sm and #gr are the temperature differences at the two ends of the heat
exchanger, as per Fig. 2.39a and b in Sect. 2.9. Either Celsius or Kelvin degrees
can of course be used for temperature differences.
The following applies for a concurrent heat exchanger:
The equation for the average logarithmic temperature difference provides correct
values for the product kA—but only for approximately constant values of the
spec. heat capacity cp and other similarity criteria, especially in cases where the
temperature differences are not too small (Janßen 1996). In the case of phase
changes (evaporation or condensation), these conditions are not satisfied, and the
heat exchanger must be divided into several sections—at least into, e.g., preheating,
evaporation, and superheating sections (see also Sect. 2.9).
In the design load case, the desired inlet and outlet temperatures are given and the
product kA is calculated—but in the part load case or in the case of a given product
kA, the outlet temperatures and the transferred heat flow are calculated. In both
cases, the heat capacity flows (the product of mass flow and spec. heat capacity) of
the exothermic (hot) and the heat-absorbing (cold) flows must be given. These case
differentiations are clearly shown in Lechtenbörger and Leithner (1997). Simple
dimensionless ratios are also described here, especially for concurrent and counter-
current heat exchangers.
The heat transfer coefficients ˛in and ˛a change during the transition to part load.
Several approaches (based on measurements and similarity) for calculating these
coefficients are available in the relevant literature (e.g., VDI-Wärmeatlas (2006)).
Stamatelopoulos uses the following relationships in Stamatelopoulos (1995)
(inter alia):
• for the ratio of the heat transfer coefficient on the inside of the pipe ˛in in the
part load case to the heat transfer coefficient ˛in;0 in the design load case or in the
full-load case, based on the following simple Nusselt equation for flows in pipes
(generally water or steam):
˛d
Nu D D 0:032 Re0:8 Pr0:3 (7.53)
7.2 Steady-State Power Plant Simulation 615
• for the ratio of the heat transfer coefficient on the outside of the pipe ˛a in the
part load case to the heat transfer coefficient ˛a;0 in the design load case or in the
full-load case (generally for flue gases):
0:67 0:6 0:27 0:33
˛a mP 0 0 cp
D (7.55)
˛a;0 0 mP0 cp0
• for the ratio of the heat transfer coefficient on the outside of the pipe ˛a in the
part load case to ˛a;0 in the design load case or in the case of condensation or
evaporation in the full-load case:
1=3 2=3
˛a l mP l;0 l;0 l
D (7.56)
˛a;0 l;0 mP0 l l l;0
L %w2
p D Fric (7.57)
d 2
In the steady-state case, the continuity equation also applies in the following
simple form:
mP D % w A (7.58)
flows (especially water, steam, air, flue gas) the states of which either change or
mutually influence one another while they are in components.
All the equations like those of balance, transport, or of state therefore lie in the
components. The variables and constants that appear in the equations are generally
thermal and caloric state variables such as pressure, enthalpy, temperature as well as
mass flows and concentrations (chemical composition). The variables and constants
of the state variables always refer to the entry or exit of the mass flow into or out
of the component. The state variable at the outlet of a component is equal to the
state variable at the inlet into the next component. The equations of the various
components are therefore coupled over the mass flows—so it makes sense not
to assign the state variables to a component, but to the mass flows between the
components. In addition to the mass flows, other flows also occur, like energy and
information flows.
Some variables or constants cannot be assigned to any flow, such as the state
variables of storage, efficiency, or geometric data—these variables are assigned
directly to the component.
This model of the power plant cycle, decomposed into mass flows and compo-
nents, can also be found in other disciplines—and it is for systems like this that
the graph theory was developed (see also Jungnickel (1994)). In our case here, this
means that components are assigned to the nodes while flows or state variables are
assigned to the edges.
In order to cover as many applications as possible, an implicit system of
equations is used in ENBIPRO (Witkowski 2006; Zindler 2007). This means that
decisions about which parameters should be variables and which should be constants
(or given values) do not already have to be made during the setup of the system of
equations.
In this way, it is possible to carry out a steady-state simulation for the design
of the components and (for example), to select the k A value of a heat exchanger
(product of heat transmission coefficient k and heating surface A) as the desired
variable or to specify the k A value of a heating surface and to calculate the inlet and
outlet temperatures at part load.
Figure 7.1 shows a simple example of the graph of a thermo-technical cycle,
consisting of a mixer and a heat exchanger. The state variables Zi lie on the edges and
the equations in the components are not yet assigned to the state variables. Before
solving the equation system, this assignment must be carried out by appropriate
referencing. The resulting system of equations is then as follows:
0 D mP 3 mP 2 mP 1 (7.59)
0 D mP 3 h3 mP 2 h2 mP 1 h1 (7.60)
7.2 Steady-State Power Plant Simulation 617
Z4
Z1 Z3
Z2
0 mout minl
Edge/Mass flow 0 mout h out minl h inl Q
Fig. 7.1 Simple example of a graph (as per the graph theory)
0 D mP 4 mP 3 (7.61)
0 D mP 4 h4 mP 3 h3 QP (7.62)
We have not yet decided at this point which state variables are variable and which
are constant. Thanks to the four equations, four variables can be selected, but these
cannot be freely chosen for physical and mathematical reasons. The two mass flows
mP 2 and mP 3 , for instance, and the two enthalpies h3 and h4 can be chosen as variables.
The resulting system of equations fE with the variable vector xE D .mP 2 ; mP 3 ; h3 ; h4 /
can then be solved by means of an appropriate solution algorithm, if the other
variables are given.
When solving the system of equations, different philosophies can be used, such as
those described in Witkowski (2006) and Zindler (2007)—and the use of these could
result in the entire system of equations being solved in one “go,” or mass, material,
energy, and momentum balances being solved separately in a common iteration
loop. A separate solution of the balance equations is generally used for steady-
state calculations, since the separate solution (in most cases) has better convergence
properties if the values of the variables have been badly estimated.
Systems of linear equations can be solved with versions of the Gaussian
algorithm, the LU (lower-upper) decomposition, the Jacobi method, the Gauss–
Seidel method, and other approaches (see also Sect. 3.7).
618 7 Power Plant Simulation—Transient and Steady-State
Non-linear implicit equation systems can be solved with variants of the Newton
algorithm—as a rule, these introduce different attenuation coefficients.
Implicit equation systems still encounter problems in the choice of variables
and their estimated initial values. The wrong choice of variables can result in the
system of equations becoming singular. If the estimated initial values are too far
removed from the solution, it may be that an incorrect solution—or none at all—is
found. Many calculation programs also have convergence problems with functions
that are not continuous, or with those which possess a finite domain like the steam
table—so we should always view the results of a calculation critically. Apascaritei
(2008) describes how to verify the solubility of such systems of equations (see also
Sect. 7.4).
P D VP p
which is only exactly valid for incompressible media and the great difference
between the steam volume and the feedwater flows is taken into account at the same
mass flow (Fig. 7.2). The cycle’s other advantage over the open gas turbine cycle is
that any fuels can be used, such as coal, waste, nuclear energy, solar heating, and
geothermy and not just the natural gas or light fuel oil used in gas turbines or engines
(except in the case of closed gas turbine cycles and Stirling engines).
This system of equations has been limited to the condenser, because even this
simple cycle is described by so many equations (even for steady-state calculation)
that clarity would be lost. The following mass, momentum, and energy balance
implicit equations and the constitutive equations have been written for this sim-
7.2 Steady-State Power Plant Simulation 619
P = 17.124 MW (0)
# P = 0 MW (0)
m = 20 kg-per-s (0)
# p = 0.5 bar (0)
Steam generator = 81.317 grd-C (0)
P = 61.767 MW (0) result:x = 0.97095 - ()
m = 20 kg-per-s (0)
p = 50 bar (0)
# m = 2000 kg-per-s (0)
= 81.73 grd-C (0) P = 0.11311 MW (0) # p = 1 bar (0)
# = 10 grd-C (0)
m = 20 kg-per-s (0)
Feedwater pump p = 0.5 bar (0)
# eta = 0.9E+0 - () # x = 0.00E+0 - (0.0E+0)
result: = 81.316 grd-C ()
# P = 0 MW (0)
0 D kA #log QP (7.68)
0 D QP C m
P cool;inl cp .#cool;inl #cool;out / (7.69)
0 D QP m
P cond;inl .hcond;inl hcond;out / (7.70)
0 1
mP cond;inl
620
B pcond;inl C
B C
B #cond;inl C
B C
B C
B hcond;inl C
B C
0 1B mP cond;out C
B C
100 0 1 0 0 0 00 0 0 0 0 0 0 0 B pcond;out C
C B C
B0 1 0
B 0 0 1 0 0 00 0 0 0 0 0 0 0 CB #cond;out C
C B C
B0 0 0
B 0 0 0 0 0 01 0 0 1 0 0 0 0 CB hcond;out C
B CB C
B0 0 0 0 0 0 0 0 00 1 0 0 1 0 0 0 CB mP cool;inl C
0DB CB C
B0 0 1 0 0 0 1 0 00 1 0 0 1 1=kA 1 0 C B C
B CB pcool;inl C
B0 0 0 0 0 0 0 0 00 0 0 0 0 1 0 1 C B C
#cool;inl C
7
B CBB C
@0 0 0 0 0 0 0 0 0 0 mP cool;inl cp 0 0 mP cool;inl cp 0 0 1 A B mP cool;out C
B C
0 0 0 mP cond;inl 0 0 0 mP cond;inl 00 0 0 0 0 0 0 1 B pcool;out C
B C
B #cool;out C
B C
B kA #log C
B C
B C
B .#cond;out1#cool;inl / C
@ ln .#cond;inl #cool;out/ A
QP
Eight variables can be calculated in the equation system with eight equations.
Power Plant Simulation—Transient and Steady-State
The kA value has to be calculated for condenser design. Seven more variables
can also be calculated (see Table 7.2), but the other variables must be given (see
Table 7.3).
The necessary derivatives must first be calculated to iteratively calculate the
system of equations by means of, e.g., Newton’s method. This results in the
following system of equations for the vector of improvements vEi :
0 1
@f1 .yE .0/ / @f1 .yE .0/ / @f1 .yE .0/ /
0 .0/ 1 B @y1 0
@y2 @y8 C .0/ 1
f1 yE B @f2 .yE .0/ / @f2 .yE .0/ / @f2 .yE .0/ / C v1
B : C B @y C B : C
ACB C
@y2 @y8
0D@ :: B ::
1
:: C @ :: A (7.71)
.0/ B : :: C
: :
f8 yE @ A v8.0/
@f8 .yE .0/ / @f8 .yE .0/ /
@y1
@y8
622 7 Power Plant Simulation—Transient and Steady-State
0 1T
@f1 .yE .0/ / @f2 .yE .0/ / @f8 .yE .0/ /
0 .0/ 1 B @mP cond;out @mP cond;out @mP cond;out C 0 .0/ 1
B @f1 .yE .0/ / @f2 .yE .0/ / @f8 .yE .0/ / C v1
f1 yE B @p C
B f2 yE .0/ C B cond;out @pcond;out
B @f1 .yE .0/ / @f2 .yE .0/ /
@pcond;out C
@f8 .yE .0/ / C
Bv .0/ C
B 2 C
B C
B f yE .0/ C B @mP
B cool;out @mP cool;out @mP cool;out C
C B .0/ C
Bv3 C
B 3 C B @f1 .yE .0/ / @f2 .yE .0/ / @f8 .yE .0/ / C B .0/ C
B C B @p C Bv C
B f4 yE .0/ C B cool;out @pcool;out @pcool;out C B 4 C
0DB CC B @f1 .yE .0/ / @f2 .yE .0/ / @f8 .yE .0/ / C Bv .0/ C (7.72)
B f5 yE .0/ C B @# C B 5 C
B .0/ C B cool;out @#cool;out @#cool;out C B .0/ C
B f6 yE C B @f1 .yE .0/ / @f2 .yE .0/ / @f8 .yE / C
.0/ Bv6 C
B .0/ C B @kAcond C B .0/ C
@ f7 yE A B @kAcond @kAcond C @v7 A
B @f1 .yE .0/ / @f2 .yE .0/ / @f8 .yE .0/ / C
f8 yE .0/ B @ #log;coun @ #log;coun @ #log;coun C
.0/
v8
@ A
@f1 .yE .0/ / @f2 .yE .0/ / @f8 .yE .0/ /
@QP @QP
@QP
The system of equations with inserted values and the formed partial derivatives:
0 1 0 1 0 .0/ 1
0 1 0 0 0 0 0 0 0 v1
B C B 0 1 0 0 0 0 0 0 C B v .0/ C
B 0 C B CB 2 C
B 0 C B B 0 0 1 0 0 0 0 0 C B .0/ C
C B v3 C
B C B C B .0/ C
B C B 0 0 0 1 0 0 0 0 C Bv C
B 0 C B C B 4.0/ C
0DB ı CCB @f5 .yE .0/ / C Bv C
B #log 0:415 C C B 0 0 0 0 @# 0 1 0 CB 5 C
B C B C B .0/ C
P
cool;out
B 270:96kW Q C B 0 0 0 0 0 #log kA 1 C B v6 C
B C B C B .0/ C
@ QP 44:647MW A @ 0 0 0 0 mP 0 0 1 A @ v7 A
cool;inl cp
QP 44:647MW 0 0 0 0 0 0 0 1 v8
.0/
Determining a Part Load (also the Calculation of Full Load Follows the
same Calculation Process, if kA is a Given Value)
The same system of equations is used as in the design—only the variables change—
so the kA value for part load is pre-established and this in turn enables another
variable to be freely selected. In this example, the variables listed in Table 7.5 are
pre-established. The temperature #cool;out , #cond;inl and other variables (see Table 7.4)
are determined:
The default values for the calculation of the part load of the heat exchanger are
compiled in Table 7.5.
The worksheets and numerous nomograms in VDI (2000) can be used to verify
the steady-state calculations of individual components such as the combustion
chamber, heat exchanger or boiler and condenser, and gas and steam turbine.
The Scotsman James Watt adopted 1788 the very first centrifugal flyweight speed
controller for power control. This laid the foundation for the development of the
instrumentation and control (ICC) of steam power plants. Only two years later, he
equipped the boiler with safety valves to prevent explosions caused by the possible
carelessness of the fireman (Sterff and Wellfonder 2006).
Steam power plants evolved rapidly over the following two centuries. Output
increases sharply and continuously to today’s level of over 1000 MWel , i.e., steam
flows were increased to around 2000 t/h. Steam temperatures and pressures also
increased significantly up to the current 650–700 ı C and 350 bar—and processes
became more complex to increase their efficiency (e.g., bled steam feedwater
heating, single or double reheating). Efficiency increased from less than 10 %
to around 50 %. The legal requirements in environmental protection, operational
624 7 Power Plant Simulation—Transient and Steady-State
safety, and grid stability also intensified. Today’s power plants must be able to adapt
their electric output quickly. Only efficient open and closed loop control systems
can satisfy today’s standards for startup procedures, load changes, and safety during
accidents.
In today’s power plants, the parameters of fuel and fresh air mass flows (VDI
3501), drum water level (VDI 3502), steam temperature (VDI 3503), furnace
negative pressure (VDI 3504), feedwater mass flow (VDI 3506), the transport gas
temperature and outlet temperature of coal mills (VDI 3505), turbine output (VDI
3508), turbine speed (VDI 3508), and turbine throttle pressure (VDI 3508) are all
controlled. Most incidents/accidents against which a steam power plant must be
protected can be found in the VDI 3500 (VDI = Association of German Engineers,
3500 = Regulation No. 3500)—the circuitry of complete control circuits of modern
steam power plants can be found in the (VDI 3508). The individual control circuits
are coupled together e.g. by cascades or feedforward signals. In Leithner (2002) a
good overview of the various control circuits and their circuitry can be found.
Table 7.6 shows a simplified overview of the load control of steam power plants.
Figure 7.3 illustrates the corresponding step responses in a sufficiently throttled and
an insufficiently throttled turbine valve.
Turbine output is calculated as follows:
mP D ATurbv p
D (7.74)
mP D;0 ATurbv;0 p0
The turbine output can thus be controlled by the turbine inlet pressure or by
the cross-section of the turbine valve opening. Figure 7.4 shows the correlation of
steam pressure, turbine valve opening, and the turbine output that corresponds to the
steam mass flow, as can be seen in Eqs. (7.73) and (7.74). Figure 7.4 contains the
same information as Fig. 7.3, but presented differently; in the transient processes,
time is a parameter on the curves.
As per (VDI 3508), the structure of the power control of a conventional,
electricity-generating power plant depends on the operating mode of the unit, which
in turn is determined by the technical control requirements of the unit. The power
controls initially differ in the way the controlled variables (the generator output and
(except in the case of natural sliding-pressure) the live steam pressure) relate to
7.3 Transient Power Plant Simulation 625
Table 7.6 Power control (simplified); Legend: A turbine valve opening; ST steam turbine; G
generator; Pact , Pset power output (actual value, set-point value); PF firing rate command (fuel
and air flow); P D proportional controller; PI D proportional-integral controller; p pressure; TV D
turbine valve (Leithner 2002)
Schematic flow diagram
Name of power control and description (simplified)
Fixed pressure: When the power rating of the generator should be
increased, the turbine valve controller opens the turbine valve. Stored Pset Pact
steam is released and the pressure decreases. This pressure reduction
PI
leads to an increased firing rate command, through which the pressure
is raised back to the fixed set-point value. The boiler output is TV
Boiler A
regulated very quickly and accurately due to the small time constant
of the turbine valve and the turbo generator; steam generation,
however, is very inertial. The short-term steam mass flow differences ST G
are covered by the storage mass of the boiler. A feedforward signal
from the target power rating to the firing rate is used in most cases
P p
PF act
PI
p
set
Modified sliding-pressure: Control mainly works in the same way as
in fixed pressure, but the live steam pressure set-point value is no Pset Pact
longer kept constant—instead it is kept at sliding-pressure, depending
on the power required. The turbine valve is usually slightly throttled PI
to retain a short-term power reserve. This results in the steam
Boiler
pressure being lower at part load and the turbine valve being throttled A TV
less than it would be in fixed-pressure operation. After the short-term
power output, the turbine valve returns to its original state. The ST G
change in output is somewhat delayed in comparison to
fixed-pressure operation; this is due to the pressure change required
to change the output P A act (pact)
PF
PI
A set
(pset prop. Pset )
Constant-pressure: The difference in the generator’s power output
has a direct impact on the firing rate. In a second control loop, the live pset
steam pressure is regulated to a constant set-point value by the PI
pact
turbine valve. Control is somewhat slower than fixed-pressure or
modified sliding-pressure control, as long as the throttling reserves Boiler A TV
are sufficient, but faster than the natural sliding-pressure control and
extremely robust. As the live steam pressure is kept almost constant, ST G
the storage capacity of the boiler is not used and none of the
thick-walled boiler components—in particular those in the zone of
Pact
the evaporator (there can be no change in boiling temperature without PI
PF
a pressure change)—are subjected to stress and fatigue caused by P Pset
changing wall temperature differences. All the deviations in steam
generation are borne by the electrical network. The storage capacity
of the boiler can be used, thanks to a decaying (DT1 action)
feedforward action of the generator’s output difference on the turbine
valve—and this kind of pressure control approaches fixed pressure
control, but without losing its robustness. The pressure set-point value
can of course also be made variable (delayed with the load)—and this
results in an approximation to modified sliding-pressure
(continued)
626 7 Power Plant Simulation—Transient and Steady-State
Pact
PF PI
P Pset
the manipulated variables (the turbine valve opening (except in the case of natural
sliding-pressure) and the firing rate (fuel and air flow)). This results in four power
controls in which either the turbine and/or the turbine valve (this in the case of
fixed-pressure and modified sliding-pressure operation, provided that the throttling
of the turbine valve is sufficient) or the boiler (in the case of constant pressure and
natural sliding-pressure operation) determine the steam mass flow in the short term.
In greater and longer-lasting output changes, the more inertial boiler will always
be the determining factor, unless inadmissible temperature differences occur in the
steam turbine (in the housing wall or between the rotor and the housing (Ahmed
2010; Ahmed and Leithner 2010; Ahmed et al. 2010).
Operating Mode
Modes of operation of steam power plants are, e.g., base-load operation (con-
stant 100 % output), peak load operation (programmed operational schedule), or
frequency support mode (short term, minor power changes). Only the natural
sliding-pressure operating mode is completely unsuitable for rapid load changes.
The following section addresses the control of the steam temperatures at the
superheater or reheater outlets. The controlled variable is the superheater or reheater
outlet temperature. Disturbances are heating, steam mass flow, and the superheater
inlet temperature. The entire superheater or reheater heating surface is usually
divided into 2–4 segments. In the case of large flue gas cross-sections, this is
done by crossing the 2–4 steam lines to balance any uneven flue gas temperature
distributions throughout that cross-section—and also to occasionally influence the
steam temperatures where necessary by water injections. This is carried out because
7.3 Transient Power Plant Simulation 627
P P
actual 2 actual 2
P0 set 2 P0 set 2
set 1 set 1
actual 1 actual 1
ATurbv ATurbv
A Turbv,0 A Turbv,0
p p
p p
0 0
Constant
P set
P set
P0 P0
actual actual
p p
p p
0 0
p
p=0
0
Fig. 7.3 Step responses of the power output, the turbine valve opening, and the steam pressure
when the output requirement is changed shown for the four different power output controls
(Leithner 2002); Legend: Solid-line step response = sufficient throttling of the turbine valve;
dashed step response = insufficient throttling of the turbine valve
the outlet temperature changes are approximately equal to the inlet temperature
changes (applies only for slight deviations) and approximately proportional to the
heating temperature range and the changes in the heating and steam flows. Injection
immediately ahead of the high-pressure or medium-pressure turbine is generally
avoided from the outset, in order to prevent damaging the turbine blades with
628 7 Power Plant Simulation—Transient and Steady-State
Turbine valve
opening A 6 7
100 %
A Sliding-
pressure
6-7
9
C B Fixed
8 pressure
1 2 5 3-4
C Controlled
sliding-
B 4 pressure
1 - 2, 1 - 5
3 D Pre-pressure
D 8-9
B
5 7
2 6 1
1
C Natural sliding-
pressure
100 % Power
Fig. 7.4 Pressure and the turbine valve opening in natural sliding-pressure, fixed-pressure,
controlled sliding-pressure, and constant-pressure operation (schematic); the curves are time-
parameterized
injection water drops. The intermediate injections can also be used to limit the stress
of the heating surfaces—and this enables the use of cheaper material. The heating
temperature range of the last heating surface should not exceed 50 K—this will
ensure sufficient small deviations from the set temperature before the turbine. A
conventional schematic circuit diagram, taken from Strauß (1998) is illustrated in
Fig. 7.5.
7.3 Transient Power Plant Simulation 629
- Pset
T
m Inj
In addition to the cascade circuit, more disturbance variables such as fuel mass
flow or target power can be activated to improve control. State controllers have
meanwhile been tested successfully in practice. The missing measured variables (or
variables that can only be measured with a great deal of effort) are simulated by
observers. In the case of larger heating surfaces, state controls (Herzog and Läubli
1987) can achieve the same control accuracy of superheater and reheater outlet
temperatures as in classical control systems and smaller (more often divided) heat-
ing surfaces. Please refer to (VDI 3503) for other temperature control possibilities,
such as tilting burners, excess air, biflux/triflux heat exchanger, and flue gas control
passes.
Figure 7.6 shows a simplified, transient power plant model, which consists of the
following analytical submodels:
• Boiler
• Furnace
• Turbine valves
630 7 Power Plant Simulation—Transient and Steady-State
HP = High Pressure
IP = Intermediate Pressure
SH = Superheater
RH = Reheater
HP IP
turbine turbine G
HP steam flow
HP steam temperature
HP steam pressure HP turbine valve
IP turbine valve
Injections
Injections Fictitious
Fictitious Fictitious
throttle
throttle throttle
ECO + RH 1 RH 2
Feedwater Evaporator SH1 SH2 SH3 storage storage
storage
Compressible Incompressible Compressible
Performance Fuel-air
requirements
Fig. 7.6 Simplified transient power plant model (Leithner and Linzer 1975)
Steam Generator
In many cases there is only one point of interest—to ascertain the behavior of the
boiler in relation to its “environment,” i.e., to the turbine, generator, and electric
network. A simplified model for furnace and evaporator is sufficient here—only
the superheater and reheater stages are shown in more detail (Allard et al. 1970b;
Leithner 1974; Leithner and Linzer 1975).
In this case, the boiler is only linked with its environment via its required load
(effect of the “environment” on the boiler = input variable) and the high-pressure
(HP) steam flow, the HP steam temperature, and the HP steam pressure (effects
of the boiler on its “environment” = output variables). The internal control of the
boiler, e.g., fuel-air, feedwater, superheater temperatures, flue gas recirculation, etc.,
is assumed to have been carried out in accordance with the optimum setting. As a
further simplification, linear—or section-by-section linear—behavior of the boiler
system is required, so we can also calculate with deviations from the steady-state
behavior.
At subcritical pressures, the boiler can be divided into a
• section with a fluid considered as compressible (zone of two-phase flow:
evaporator). The temperature (boiling temperature) is a function of pressure alone
7.3 Transient Power Plant Simulation 631
Since the outlet temperature is a function of pressure and since feedwater flow,
feedwater enthalpy, and feedwater pressure must be functions of the load command,
only three variables—load command, HP steam flow, and HP steam pressure
remain from the seven characteristic variables of a heated pipe flow (enthalpy or
temperature, pressure and mass flow at the inlet and outlet, and heat absorption
or load command). One variable can be expressed as a function of the other two
variables.
Based on the below expression of the HP steam pressure as a function of the load
command and the HP steam flow,
pHP ./ D pHP mP HP ./; PSG ./ (7.75)
pHP
1
=0 s
mHP Tp s
Kp
1
Tp
mHP
1
s
pHP s
Tp
1
Kp
d pHP -1
= 1
d Kp
Inverse pressure storage behavior: Step response of the HP steam
pressure to a unit step of the HP steam flow (P SG
= constant)
Fig. 7.7 Pressure storage behavior and inverse pressure storage behavior (Leithner and Linzer
1975)
2. the HP steam pressure change resulting from a change in the boiler load
command (described as a time delay of heat release of firing systems and a
thermal pressure change, shown in Figs. 7.8 and 7.9).
If we base our approach on the expression of the HP steam flow as a function of
the load command and the HP steam pressure (see Fig. 7.10),
mP HP ./ D mP HP PSG ./; pHP ./ (7.77)
PF PF mvirt
1 1 1
s s s
p mvirt mHP,0 p
HP HP
TV 1
mHP,0 PF,0
d p d p
1 HP 1 mHP,0 PF,0
1 1 HP
=
1
1
= 1 d Kp
d K p PF,0
Asymptote
s s s
TV
Thermal pressure Delay in virtual Pure storage
change steam generation (integrator)
(mHP = constant)
Fig. 7.8 Thermal pressure change: Step response of the HP steam pressure to a unit step of the
firing rate (mP HP D constant) (Leithner and Linzer 1975)
The following relationships between the time delay of heat release of firing
system and the thermal pressure change can also be expressed:
ˇ ˇ ˇ
@pHP ˇˇ @pHP ˇˇ @mP HP ˇˇ
D D
@PSG ˇmP HP @mP HP ˇPSG @PSG ˇpHP
ˇ ˇ
@pHP ˇˇ @mP HP ˇˇ dPF
D ˇ ˇ D
@mP HP P @PF pHP dPSG
„ ƒ‚ SG … „ ƒ‚ … „ƒ‚…
Inverse Thermal Time delay of (7.79)
pressure storage HP steam flow heat release of
behavior change inertia firing system
ˇ
@pHP ˇˇ dPF
D ˇ
@PF mP dPSG
„ ƒ‚ HP …
Thermal
pressure change
Pressure storage behavior is the behavior of the HP steam flow resulting from a
change in the HP steam pressure and at a constant power command. A change in
the HP steam pressure causes changes in the mass and energy content of the boiler
(exactly as in the case of changes in mP HP and PSG ). The change of energy consists of
the energy change of the tubes, the energy change of the medium resulting from an
634 7 Power Plant Simulation—Transient and Steady-State
PDE PDE PF
1 1 1
s s s
p PF p
HP HP
TF 1
d p d p
1 HP 1 mHP,0 1 1 HP 1 mHP,0
= 1 = 1
d K p PSG,0 d K p PF,0
Asymptote Asymptote
s s s
TF+ TV TV
Time delay of heat release of Time delay of heat Thermal pressure
firing system and a thermal release of firing system change
pressure change (mHP = constant)
(mHP = constant)
P P mHP
F F
1 1 1
s s s
p mHP m m p
HP Tth HP,0 = (TV +TP) HP,0 HP
mHP,0 PF,0 PF,0
d p d p
1 1 mHP,0 1 1 HP 1
HP
= 1 PF,0 = 1
d PF,0 TP d Kp
Kp 1
Asymptote Kp
s s s
TV
Thermal pressure Thermal HP steam Negative inverse pressure
change flow change inertia storage behavior
(mHP = constant) (pHP = constant) (PSG= constant)
Fig. 7.9 Time delay of heat release of firing systems and a thermal pressure change: Step response
of the HP steam pressure to a unit step of the boiler load command (mP HP D constant). Thermal
HP steam flow change inertia: Step response of the HP steam flow to a unit step of the firing rate
(Leithner and Linzer 1975)
enthalpy change and as a result of a change in the mass content. A constant power
command usually means a constant feedwater flow. If the injection water flows are
also kept constant, the amount of stored steam is equal to the change in the mass
content. It must be remembered that the mass storage procedures take place in a
boiler at different enthalpies and that, e.g., the masses released from the evaporator
still have to pass through the superheater, so they will require even more energy. If
the changes in the energy and mass content match neither temporally nor locally
(here the energy for the heating of the released masses must also be addressed), this
will lead to “secondary” storage procedures and temperature disturbances.
7.3 Transient Power Plant Simulation 635
Total differential
mHP PF pHP
PF = -1
pHP mHP
pHP mHP PF
Thermal Inverse Inverse
HP steam thermal pressure
flow pressure storage
change change behavior
inertia
Total differential
If we make changes to balance the feedwater flow and/or the injection water
flows, this will in turn lead to a change in the amount of steam in storage. In
extremely simplified form, the following applies:
Z
mP HP d D Kp ps (7.80)
0
This pressure prevails throughout the boiler ahead of the fictitions throttle.
Together with Eq. (7.81), the differentiated Eq. (7.80) results in the following:
dpHP d pSH
mP HP D Kp C (7.82)
d d
The following equation applies for the frictional pressure drop concentrated in
the fictitions throttle at the boiler outlet and the dynamic pressure (velocity head) of
the superheaters using the continiuty equation:
HP w2 SH
pSH D SH D vHP mP 2HP D const vHP mP 2HP (7.83)
2 2A2quer
With Eq. (7.83) for the prevailing state and for the initial state (index 0), this
results in:
vHP mP 2HP dvHP dmP HP
d pSH D pSH0 C2 (7.85)
vHP0 mP 2HP0 vHP mP HP
„ƒ‚… „ƒ‚… „ƒ‚…
1 1 0
7.3 Transient Power Plant Simulation 637
Equations (7.82) and (7.85) give us the differential equation of the pressure
storage behavior (dmP HP D d mP HP ; dpHP D d pHP )
d pHP vHP
mP HP D Kp Kp pSH0
d vHPo
„ƒ‚…
1
(7.86)
mP 2HP 1 dvHP 2 d mP HP
C
mP 2HP0 vHP d mP HP d
„ƒ‚… „ ƒ‚ …
1 0
By assuming the following four equations and by defining the pressure storage
time constant Tp ,
vHP
1 (7.87)
vHP0
dvHP
0 (7.88)
vHP
mP HP
1 (7.89)
mP HP0
2Kp pSH0
Tp D (7.90)
mP HP0
d mP HP d pHP
Tp C mP HP D Kp (7.91)
d d
Equation (7.91) is split into
Tp
f1 D mP HP
Kp
df2 1
D mP HP
d KP
pHP D f1 C f2 (7.92)
Here the first equation represents the influence of the pressure drop and the
second equation expresses pure storage (integrator, storage for the “virtual” steam).
With the help of only two parameters, Kp and Tp , pressure storage behavior
can be sufficiently described by means of Eq. (7.91) or by means of the system
of equations (7.92). The limits of applicability—in particular with respect to
Eq. (7.90)—are covered in more detail in Leithner and Linzer (1975). If Tp and
638 7 Power Plant Simulation—Transient and Steady-State
Kp are selected (as a function of the load if necessary), e.g., on the basis of
measurements on similar systems, we can expect a good approximation, even
in relatively large load ranges. Laplace transformation of Eq. (7.91) gives us the
transfer function of the pressure storage behavior (and also of course of the inverse
pressure storage behavior).
Calculation of the Pressure Storage Capacity Kp and the Pressure Storage Time
Constant Tp
Instead of Kp , we also use the negative reciprocal of the storage pressure rate of
change where mP HP D mP HP0
Kp
Tatm D (7.93)
mP HP0
This is the time period within which full HP steam output can be only obtained
from storage using a pressure reduction of one pressure unit (Gerber 1959). The
following may be used as approximate values:
V
mD D f .h; p/
v
ˇ ˇ
V 1 @v ˇˇ 1 @v ˇˇ
dm D 2 dv D V 2 ˇ dh C 2 dp (7.94)
v v @h p v @p ˇh
7.3 Transient Power Plant Simulation 639
3 p = 1bar
10
10
[kg/bar m 3 ]
20
2
10 40
60
80
100
120
101
h
200
1 v
v2 p
0
10
300 400
480
-1
10
-2
10
0 500 1000 1500 2000 2500 3000 3500 4000 4500 5000
h [kJ/kg ]
1 @v ˇˇ
Fig. 7.11 Diagram for determining the isenthalpic differential quotient ˇ of water and
v 2 @p h
steam (Leithner and Linzer 1975)
Assuming that the enthalpy distribution along the boiler is not affected by
pressure changes (dh D 0), Eq. (7.94) is reduced to:
ˇ
dm V @v ˇˇ
D 2 ˇ (7.95)
dp v @p h
ˇ
X dmi X Vi @vi ˇ
Kp D C D ˇ (7.96)
i
dp i
vi2 @p ˇh
ˇ
1 @v ˇˇ
For water and steam, 2 is shown in Fig. 7.11. The energy storage
v @p ˇh
processes of the tube wall are not included in this case.
• For boilers with correspondingly low pressure, a relatively large boiling water
content and an evaporator steel mass (natural circulation and assisted-circulation
boiler), the relationship derived in Rosahl (1942) applies with a good approxima-
tion (r D heat of vaporization):
Here the first summand represents the formation of saturated steam which takes
place as a result of the energy change in the steel mass of the evaporator section.
This energy change results in turn from the boiling temperature change caused by
640 7 Power Plant Simulation—Transient and Steady-State
Thermal HP steam flow change inertia describes the behavior of the HP steam flow
resulting from a change in the release of fire system and at a constant HP steam
pressure (see Fig. 7.9).
A change in the heat release of fire system (after a delay Tth ) causes a load-
dependent proportional change in the HP steam flow. The load dependence of the
proportionality factor is derived from the load dependence of the difference between
the live steam enthalpy and the economizer inlet enthalpy (or, as the case may be,
in addition from the difference between the reheater heat absorption and the boiler
efficiency) and must be determined from part-load calculations.
In general, if the load changes in question are not too great, this proportionality
factor D 1. The delay corresponds to the energy and mass storage processes
associated with the change in the heat release of fire system. The difference in
energy content must of course be addressed—during this time period, the high
pressure (HP) steam flow does not change. In similar manner to pressure storage
behavior, the energy storage processes in the iron and in the medium (in the
medium as a result of enthalpy and mass changes) are accompanied by mass storage
processes that take place with widely differing enthalpies. The stored or released
masses cause additional disturbances on their way through the boiler, if energy and
mass storage processes do not exactly coincide with one another. Changes in the
injection water flows and in the feedwater flow and its enthalpy also play a role. For
evaluation purposes, however, only the energy storage processes are addressed. We
then obtain the following time constant:
Z Z
cSt;SG #St;SG dmSt;SG C h dmM;SG
mSt;SG mM;SG
Tth D (7.98)
PF
where h and #StSG are differences created by PF and can be derived from part-
load calculations.
7.3 Transient Power Plant Simulation 641
Thermal pressure change describes the behavior of the HP steam flow resulting from
a change in the release of fire and at a constant HP steam pressure.
As per Eq. (7.79):
ˇ ˇ ˇ
@pHP ˇˇ @pHP ˇˇ @mP HP ˇˇ
D (7.99)
@PF ˇmP @mP HP ˇP @PF ˇpHP
„ ƒ‚ HP … „ ƒ‚ SG … „ ƒ‚ …
thermal Inverse Thermal
pressure change pressure storage HP steam flow
behavior change inertia
1 Y
n1
1
GmP HP ;PF D (7.101)
1 C Tp s iD1 1 C Tth;i s
X
n1
Tth;i C Tp D Tth (7.102)
iD1
the thermal pressure change can now be decomposed into a virtual production of
steam (proportional transfer behavior with a .n 1/th order delay) and a pure
storage element (integrator). Here the sum of the n 1 time constants of the virtual
production of steam is
X
n1 X
n1
Tv D Tv;i D Tth;i D Tth Tp (7.103)
iD1 iD1
642 7 Power Plant Simulation—Transient and Steady-State
The storage capacity (of the economizer and the superheater), which is low at
correspondingly low pressures (in comparison to the evaporator), is attributed to
the evaporator. The following variables remain—input variables: power command,
HP steam flow, inlet enthalpy or temperature; output variable: outlet enthalpy or
temperature.
The effect of the power command is naturally only felt via the transfer behavior of
the furnace and via a further delay, caused by the heating surfaces located (flue gas-
wise) ahead of the heating surface under consideration. This delay in heat absorption
of the superheaters can be approximated (or neglected) by a P element with a 1st
order delay (instead of a dead time).
In a steady-state condition, the following applies:
QP SH D m h
P (7.104)
QP SH0 D mP 0 h0
QP SH0 C QP SH D .mP 0 C m/. h
P 0 C h/
QP SH m hP 0 mP 0 h m h
P
1C D1C C C
QP SH0 mP 0 h0 mP 0 h0 mP 0 h0
QP SH mP
h QP SH0 mP 0 #
D (7.105)
h0 mP #0
1C
mP 0
mP
If the perturbations are sufficiently small, is considerably less than 1, and
mP 0
Eq. (7.105) can be linearized.
h QP SH mP #
(7.106)
h0 QP SH0 mP 0 #0
qa AR
qin Uin
AM
w
x dx
l
Fig. 7.12 Diagram of the pipe section under consideration
The inlet temperature is determined from the outlet temperature of the previous
section and from the injection (output of the temperature controller with measure-
ment and actuating device 1st order delay). The boiling temperature calculated from
the storage pressure ps is used as the inlet temperature of the first superheater—but
this of course is only exactly true of natural circulation boilers, assisted circulation
boilers or once-through boilers with superimposed circulation, and very good water
separation. This assumption can also be used as an approximation on once-through
boilers, or it is assumed that the temperature after the first injection remains
approximately constant.
The flow in a tube can be divided into small sections of dx length. In this case, only
the following variables are now of interest to us: mass flow at the inlet, temperature
at the inlet, pressure at the inlet, mass flow at the outlet, temperature at the outlet,
pressure at the outlet, and heat absorption (heating).
644 7 Power Plant Simulation—Transient and Steady-State
mP D wAM (7.107)
7.3 Transient Power Plant Simulation 645
2. Heat transport equation at the inner tube wall, linearized with the Taylor series
expansion:
a
˛d wd
Nu D D k Rea Prb k Rea D k
a
w
˛in D ˛in;stat
wstat
w mP
˛in;stat 1 C a D ˛in;stat 1 C a
wstat mP stat
mP
qPin D ˛in .#R #/ ˛in;stat 1 C a .#R #/ (7.108)
mP stat
3. Energy balance of the flowing medium (assumptions: the kinetic and potential
energy are both disregarded and the inlet and outlet mass flows are equal;
the change in the energy content corresponds to the change in internal energy
because of the constant volume and constant density):
@u @h
% AM dx D mP h mP h C dx C qPVo AM dx
@ @x
qPVo AM dx D qPin Uin dx
@u @h mP Uin
D C qPin (7.109)
@ @x AM AM
u D u.p; #/
ˇ ˇ
@u @u ˇˇ @p @u ˇˇ @#
D C
@ @p ˇ# @ @# ˇp @
This, together with Eq. (7.108) results in the following for Eq. (7.109):
@# @# mP mP Uin
cp D cp C ˛in;stat 1 C a .#R #/ (7.110)
@ @x AM mP stat AM
@#
Now we switch to deviations from the steady-state (# D #stat C #, etc., D
@
@ #
, etc.) and linearize Eq. (7.110). Equation (7.111) is subtracted from
@
Eq. (7.110).
@ # cp @# d#stat Uin
cp D mP mP stat C ˛in;stat
@ AM @x dx AM
" #
mP
1Ca .#R #/ .#R #/stat
mP stat
@ # @# d#stat
AM cp D AM cp w wstat C ˛in;stat Uin
@ @x dx
"
mP mP
a .#R #/stat C 1 C a
mP stat mP stat
#
. #R #/
7.3 Transient Power Plant Simulation 647
AM cp @ # AM cp @#stat @ #
D wstat C wstat
˛in;stat Uin @ ˛in;stat Uin @x @x
@ # d#stat d#stat
C w C w wstat
„@xƒ‚ … dx dx
0
mP
Ca .#R #/stat C . #R #/
mP stat
mP
Ca . #R #/
mP stat
„ ƒ‚ …
0
mP #R # AM cp 1
a C D
mP stat .#R #/stat ˛in;stat Uin .#R #/stat
@ # @ # d#stat
C wstat C w (7.112)
@ @x dx
we obtain the energy conservation law of the medium from Eq. (7.112)
1 AM cp @ # @ # mP
C wstat D .a 1/
.#R #/stat ˛in;stat Uin @ @x mP stat
(7.113)
#R #
C
.#R #/stat
4. Energy balance of the tube wall (assuming (axially) infinitesimally small and
(radially) infinitely large levels of heat conduction, i.e., the external and internal
temperatures of the tube are equally high)
d#R
qPa Ua dx qPin Uin dx D AR dx R cR
d
The above equation transformed with Eq. (7.108) results in
mP @#R
qPa Ua ˛in;stat 1 C a .#R #/ Uin D AR R cR (7.114)
mP stat @
648 7 Power Plant Simulation—Transient and Steady-State
By using Eqs. (7.113) and (7.116), we have now found the differential equations
for the energy balance of the flowing medium and of the tube wall.
For simplification purposes, time and location coordinates are made dimension-
less and the time constants R (tube storage time), D (medium (steam) storage time),
t (dead time), and the dimensionless shape coefficient D are inserted with the
following result:
AR R cR l mR c R l lAM m
R D D I t D D D
˛in;stat Uin l ˛in;stat AO;in w mP mP
AM cp l mcp t ˛in;stat AO;in
D D D I D D D
˛in;stat Uin l ˛in;stat AO;in D P p
mc
x
x D I D (7.117)
l R
We now obtain the following differential equation system from Eqs. (7.113) and
(7.116), after normalization and with the time constant and the shape coefficient
inserted:
7.3 Transient Power Plant Simulation 649
In order to solve the normalized differential equations, the two Eqs. (7.118) and
(7.119) are twice subjected to a Laplace transformation (temporal and local). First
the temporal Laplace transformation is applied to transform the energy balance of
the medium:
" #
1 1 t @ #
s L f #g # D0 C L
.#R #/stat D R „ ƒ‚ … @x
D0
h i
mP 1
D.a 1/L C L f #R g L f #g
mP stat .#R #/stat
Then the Laplace transformation is again used to transform the energy conserva-
tion law of the medium locally:
1 1 t
s L Lx f #g C sx L Lx f #g L f #;xD0 g
.#R #/stat D R
h i
mP 1
D.a 1/L Lx C L Lx f #R g L Lx f #g
mP stat .#R #/stat
(7.120)
1 1
D s L Lx f #R g #j D0
.#R #/stat „ ƒ‚ … 1 C s
D0
" #
qPa mP 1
L Lx aL Lx C L Lx f #g
qPa;stat mP stat .#R #/stat
1
D L Lx f #R g (7.121)
.#R #/stat
650 7 Power Plant Simulation—Transient and Steady-State
If we insert Eq. (7.121) in Eq. (7.120), thus eliminating L Lx f #R g, we then
obtain the following equations—but with the prerequisite that qPa and mP are
constant with respect to x or x (step at x D x D 0):
qPa 1 qPa
L Lx D L
qPa;stat sx qPa;stat
or
mP 1 mP
L Lx D L
mP stat sx mP stat
n o
L qP a;stat
qPa
• Transfer function of the outlet temperature (with a change in the mass flow, at a
constant inlet temperature and with a constant level of heating)
9
qPa 0>>
=
mP 6D 0 inserted into Eq. (7.122) results in (7.125)
>
>
;
# ;x D0 0
as 1 mP
D 1 L
L Lx f #g 1 C s sx mP stat
D (7.126)
.#R #/stat t D
C s C sx
R 1 C s
Since we made uniform heating over the tube length l a prerequisite, the
following applies with constant physical characteristics (also a prerequisite)
d#stat d#stat
D constant and l D .#out #inl /stat
dx dx
Inserted into Eq. (7.111), we obtain
When the above relationship is inserted into Eq. (7.126) to eliminate the
difference .#R #/stat , then followed by inverse transformation with respect to x
and with x D l, i.e., x D 1, as per Doetsch (1961), this results in the following:
2 3
L f #out g as 1
1
.#out #inl /stat 6 1 C s s 7
D L1 6 x 7
x 4 5
mP t D
L C s C sx
mP stat R 1 C s
2 3x D 1
t D
.a 1/s 1 C s
6 7
D
41 „ e R 1ƒ‚ C s
…5
t
.1 C s /s C s D Identical with Eq. (7.124)
R D
(7.127)
Equation (7.123) once again applies. Using this—and with an inverse transfor-
mation with respect to x —the result for x D l, i.e., x D 1 and for qPa Ua l D QP a
and qPa Ua l D QP a is as follows:
Equation (7.128), i.e., the transfer function of the outlet temperature with
a heating change and constant mass flow and inlet temperature is identical
to Eq. (7.127), apart from the algebraic sign—i.e. the transfer function with
a mass flow change, constant heating and a constant inlet temperature is the
same if a D 1. This becomes evident for the new steady-state condition after
a longer period of time—10 % more heating results in approximately 10 % more
heating temperature range .#out #inl /, while 10 % more mass flow results in
approximately 10 % less enthalpy rise.
Figure 7.14 shows the step responses which have been made dimensionless.
In the case of a simultaneous change in inlet temperature, mass flow, and heating,
these step responses can be superimposed. This means that even simple control
circuits (injections) can be studied.
In the case of superheaters, continuous dead time t 0 is generally very
small, so it can be disregarded. As a result of this, Eq. (7.128) (or, in similar
manner, Eq. (7.127)) is converted into:
The program Matlab/Simulink, for instance, can be used for the derived transfer
functions in the calculation of step responses, etc. However, only real fractional,
rational transfer functions can be entered in Matlab/Simulink. The e function
contained in the transfer functions must therefore be approximated by means
of a series expansion (see Acklin and Läubli (1960)). This leads to a series of
PT1-transfer functions (see Eq. (7.130) and Fig. 7.13) with factors according a
Poisson-distribution. An advantage is given that the factors for higher elements
(values larger than D ) of the series run to zero. Here we again assume that t 0:
t D t s D
C s s D
e R 1 C s D„ R
e ƒ‚ 1 C s D eD e 1 C s
…e
1
2 3 !
D 1 D 1 D
DeD 1 C C C C ::: (7.130)
1 C s 2Š 1 C s 3Š 1 C s
In Fig. 7.13, the Matlab/Simulink circuit diagram shows the calculation of the
step responses of the outlet temperature with a (step) change in inlet temperature,
inlet mass flow, or in heating. This schematic flow diagram can also be used for
calculations when input signals other than a unit step are present—and the output
654 7 Power Plant Simulation—Transient and Steady-State
Unit step
Fig. 7.13 Matlab/Simulink circuit diagram for the step responses of the outlet temperature due to
a (step) change in inlet temperature, inlet mass flow, or heating
signals due to changes in inlet temperature, inlet mass flow, and heating can be
superimposed.
Figure 7.14 shows the three families of step responses, calculated using Mat-
lab/Simulink. In this case, 30 PT1 elements were used to enable the exact rep-
resentation of the curves, even at high D values. The long dashed lines are step
responses to an increase in heating; the short dashed lines are step responses to an
increase in mass flow; and the solid thick lines are step responses to an increase in
inlet temperature. The parameter D for the three sets of curves (from left to right)
always has the same values here, viz., 0.5; 1; 2; 3; 4; 5; 6.3; 8; 10; 12.5; 16, and 20.
To calculate superheater unit step function behavior, we must know the following
data:
Load-independent data:
Qa
Step response to
Q a,stat
Step response to
m
m stat
inl
Step response to
out inl stat
1.0
0.8
0.6
0.4
0.2
inl stat
0.0
out
-0.2
out
-0.4
-0.6
= 0.5 1 2 3 4
D
5 6.3 8 10 12.5 16 20
-0.8
-1.0
0 2 4 6 8 10 12 14 16 18 20
Fig. 7.14 Unit step responses of the normalized outlet temperature with a change in the inlet mass
flow, the heating, and the inlet temperature over the normalized time
Load-dependent data:
W
˛in D 6200 Inner heat transfer coefficient
m2 K
J
cp D 3600 Average spec. heat capacity
kg K
Zm
1
Averaging: cp D cp dm (7.131)
m
0
cR D 650 kgK
J
Average specific heat of the steel mass
ZmR
1
Averaging: cR D cR dmR (7.132)
mR
0
ZV
1 1 1
Averaging: D dv (7.133)
v V v
0
The heat balance of the pipe wall, the heat balance of the flowing medium,
and the heat transfer equation have been established in the above section. The
transfer functions and step responses of the outlet temperature were then calculated,
with disturbances in the inlet temperature, the heating, and the mass flow. The
simplifying assumptions are: constancy of the physical properties and geometrical
dimensions, incompressibility, disregard for heat conduction in the axial direction,
and the assumption of 1-sized thermal conductivity in the radial direction for the
pipe material and the working medium. In addition to the exact solutions, a very
good approximation for the transfer functions was specified—without dead time,
which in any case is usually negligibly small for a superheater.
Here the description of a superheater is reduced to the two (load-dependent)
constants D and TR and a dead time Tt (if it does have to be taken into account).
Studies have shown that when D > 4, the behavior of the output temperature with
heating and mass flow changes is approximately identical, apart from the algebraic
sign. An increase in heating causes a rise in the outlet temperature and a rise in the
mass flow results in a reduction in the outlet temperature.
QP SH mP #
QP SH0 mP 0 #0
can therefore be used as a common input variable (as per Eq. (7.106)).
The transfer behavior of the furnace describes the behavior of the heat release of
firing system with a change in the power command. This process is so complex that
we generally resort to using the measurement values of similar furnaces. VDI 3501
to VDI 3506 provide a relevant overview, for instance. Accurate data is especially
necessary for “slow firing” (Schneider 1958, 1960; Schneider and Spliethoff 1962;
Focke 1972; Michelfelder et al. 1974).
In order to simulate this, a proportional transfer behavior with a nth order delay is
assumed for the sake of simplicity. Here n is selected in such a way that the measured
values can be approximated to a sufficient degree of accuracy (Strejc 1960). The sum
7.3 Transient Power Plant Simulation 657
of the time constants is TF . The percentage heat absorption of the heating surfaces
changes depending on the load. This can—if necessary—be addressed by a load-
dependent proportionality factor for the individual heating surfaces. The factor can
be obtained from part-load calculations.
mP D ˛A %A c A (7.134)
i.e., provided that the superheated steam can be considered as an ideal gas, its
speed of sound is only dependent on the absolute temperature; the effect of pressure
is negligible.
Assuming that the temperature in the valve cross-section A does not change too
much (isothermal change of state), the following therefore applies for Eq. (7.134):
A A A vA0
mP D mP 0 D mP 0 (7.136)
A0 A0 A0 vA
A vA0
Instead of the relationships or in the valve cross-section A, the
A0 vA
v0
relationships or ahead of the valve are used. This means that the following
0 v
assumptions must be made:
• constant polytropic exponents npol of the inflow to the valve
n n n
pA0 vApol
0
D p0 v0 pol I pA vApol D pv npol (7.137)
A A v0
mP D mP 0 D mP 0 (7.140)
A0 0 A0 v
Linearized with the Taylor series expansion for small deviations from the initial
state, the result is
mP A p
D C (7.142)
m0 A0 p0
Equations (7.141) and (7.142) can also be used for turbines (at least in the upper
load range) with a good degree of accuracy, as per the cone of steam weights in
Stodola (1922).
where ST represents the HP, IP, and LP turbine. If electrical efficiency is
el;compl ,
the electric output of the generator is
X
Pel;G D mP STi hSTi
mech;compl
el;compl (7.144)
i
As regards the delay, only the turbine valve adjustment and media-side storage
processes in the turbine are relevant, thanks to the virtually constant speed of 50 Hz
(3000 rpm).
The steam for the IP and LP turbines is further delayed by the reheaters; and
this can also be modeled by a PT1 behavior or, more specifically, by modeling the
storage behavior of the reheater.
Reheater
Simple Approximation
If temperature and pressure changes in the reheater are also to be studied at the
same time, this can be done simplistically as follows (analog with Leithner (1974)
or in accordance with the model for segments with the considered compressible
fluid described at the beginning of this section. Adapted, however, to the reheaters
(instead of being used for the evaporator)):
• Temperature changes are determined with the help of the D model, as in the
case of the HP superheaters. The average value of the inlet and outlet mass flow
is used as the mass flow.
• The calculation of pressure changes requires the modeling of the storage
behavior. The above changes in temperature have almost no influence on pressure
changes. In order to simulate the storage behavior, the reheater can be divided
into one or more friction-free segments with corresponding inner volumes. The
respective frictional pressure drop can be concentrated in a fictitions throttle at
the end of the segment.
In this case, the mass flow into the first segment is expressed by the HP steam
flow (minus the HP bled steam flow) and the mass flow from the last segment is
given by the IP turbine valve equation.
The mass flows between the segments are calculated from the pressure loss
equation of the throttle (the concentrated frictional pressure loss at the end of the
segment), with the storage pressures of the segments ahead of and behind the throttle
(see Leithner (1974)).
660 7 Power Plant Simulation—Transient and Steady-State
Electrical Network
The electrical network has two types of consumers: Ohmic consumers, whose
power requirements are independent of the frequency and consumers such as
electric motors, the power requirement of which is frequency-dependent. Ohmic
consumers do not contribute to the self-stabilization of the frequency. Consumers
with frequency-dependent power requirements stabilize the electrical grid by
absorbing less power when the frequency decreases and (vice-versa) absorbing more
power when the frequency increases. The rotors generate and store the rotational
energy. In a narrow power range (too-large deviations lead to network failure),
the transfer behavior between a power deficit or excess of power (the difference
between the power stored in the network and the “spent” power) and the frequency
change in the network can therefore be described by a PT1 behavior (proportional
behavior with a 1st order delay). Proportionality factors and delay time result from
the consumer and network structures.
Simplified, transient power plant simulations are particularly suitable for the
tendering stage (i.e., well before the power plant is constructed in detail and before
a detailed power plant simulation is even possible, with the experience-based data
known at this stage, like estimated volumes, masses, surfaces, etc., from which time
constants, etc., can be derived) to carry out transient simulations of load changes and
to check whether or not the load changes necessary for the frequency maintenance
7.3 Transient Power Plant Simulation 661
and the stabilization of an electrical network as per (UCPTE 1990, 1995), or the
load changes according to specific customer requirements are even possible in an
industrial power plant without an unacceptable lifetime consumption, especially in
the thick-walled components and combustion chamber walls of the boiler and the
turbine.
Nevertheless a minimum of information is needed, e.g. which power source is
used:
• hard coal, lignite, oil, natural gas, waste, biomass, biogas, etc.
• geothermal energy, solar energy, nuclear heat source
and which combustion type (especially significant for solid fuels) will be
applied:
• grate firing
• fluidized bed combustion (steady-state, circulating)
• pulverized-coal firing with different types of mills and different drying methods
(tube mills, bowl mills, beater-wheel mills, etc.) and direct or indirect blowing-in
• oil or gas firing
and which evaporator operating type will be used:
• natural circulation (with vertically tubed combustion chamber walls)
• forced circulation (with vertically tubed combustion chamber walls)
• once-through circulation with full-load or part-load circulation (vertically tubed
(or with steadily ascending, tubed) combustion chamber walls)
and which power control will be provided:
• fixed-pressure operation
• natural sliding-pressure operation
• controlled sliding-pressure operation
• initial pressure operation with or without disturbance-variable compensations
and which boiler construction type will be used:
• box type boiler
• cube type boiler
• multi-pass boiler
• two-pass boiler
• single-pass boiler.
This is most often found in the form of guaranteed, penalized pressure, and
temperature-deviations of the live steam- and of the reheater steam flow—with
(too) intensively simplified contractual agreements, which often lead to demands
unnecessary to meet the real goal, i.e. a certain permissible life consumption.
Figure 7.15 shows a schematic diagram of a simplified, transient power plant
model (fixed-pressure operation) with greatly simplified electrical network and
network frequency control.
662 7 Power Plant Simulation—Transient and Steady-State
P P
Temperature- Temperature-
injection injection
controller PID controller PID
Injection 2 Injection 1
Fig. 7.15 Simplified, transient power plant model (fixed-pressure operation) with simplified
electrical network model (TM = temperature measurement), see also Leithner and Linzer (1975)
and Allard et al. (1970b)
Figure 7.16 shows the simulation circuit diagram (which can be used for,
e.g., MATLAB/Simulink) of a simplified, transient power plant model with fixed-
pressure operation, or with natural or controlled sliding-pressure operation.
Figures 7.17, 7.18, 7.19 show simulation results for different fuels, evaporator
operating modes, and power controls. As is to be expected, oil or gas-fired
power plants—also in fixed-pressure operation—evince much smaller deviations in
power, pressure and temperature, etc., than coal-fired plants with controlled sliding-
pressure operation—and once-through boilers show smaller deviations than natural
circulation boilers.
Using a similar model, different boilers with various evaporator operating modes
and fired with hard coal, brown coal, oil, or gas were simulated with different power
controls—the results, in the form of power, pressure and temperature deviations,
etc., were listed in a table comparing them to one another (Strauß and Baumgartner
1985).
The description of incidents or startup and shutdown procedures is actually
beyond the capabilities of these highly simplified (linearized) models. However, it
is possible to use similar, load range-dependent and simplified (linearized) models
to estimate these procedures; the accuracy of these, however, is of course limited.
PID turbine governor
Controlled
Constant sliding-
pressure Natural sliding-pressure pressure
HP turbine HP turbine HP turbine
Turbinenventil
Pipeline
Factor
Initial value
Measurement delay
Integrator
PI injection controller injection supply PI injection controller
Summator
Fig. 7.16 Simplified, transient power plant model—simulation circuit diagram, see also Allard et al. (1970b) and Leithner and Linzer (1975)
663
664 7 Power Plant Simulation—Transient and Steady-State
80
[%]
[K]
4
60
1
2
40
3
1 Change in the power set point [%]
2 Change in the live steam flow [%]
3 Change in the live steam pressure [%]
20
4 Fuel command [%]
5 Change in the live steam temperature [°C]
5
0
-20
0 360 720 1080 1440
[s]
Fig. 7.17 Load change between 40 and 100 %. Coal-fired once-through boiler with superimposed
circulation at part load and in controlled sliding-pressure operation (Leithner 1983a)
80
[%]
[K]
60
5
1
1 Change in the power set-point [%]
40 2 Change in the live steam flow [%]
2 3 Change in the live steam pressure [%]
4 4 Change in the generator's active power [%]
20 5 Change in the fuel command [%]
13 Change in the live steam temperature [°C]
15 15 Change in the reheater temperature [°C]
0 13
3
-20
0 360 720 1080 1440
[s]
Fig. 7.18 Behavior of the boiler with a 6-min, 50–100 % load set-point change (oil/gas, fixed
pressure, once-through boiler with part-load circulation) (Leithner 1983a)
Since the load range usually does not change much during the activation of a safety
valve, the simulation of these procedures is possible using simplified, transient
power plant models or boiler models.
The following problem is described in Leithner (1974): According to the
Australian rules, safety valves must be installed on the drum (or in the absence
of a drum, after the first superheater) and at the inlet of the reheater. However, the
7.3 Transient Power Plant Simulation 665
80
[%]
[K]
60
5
1
40 1 Change in the power set-point [%]
2 2 Change in the live steam flow [%]
3 Change in the live steam pressure [%]
4 4 Change in the generator's active power [%]
20 5 Change in the fuel command [%]
13 Change in the live steam temperature [°C]
15 Change in the reheater temperature [°C]
0
3 13
15
-20
0 360 720 1080 1440
[s]
Fig. 7.19 Behavior of the boiler with a 50 % to 100 % load set-point change (oil/gas, fixed
pressure, and natural circulation)
issue here is how to enable prolonged operation via the HP and LP bypass stations,
without activating the above (actually redundant) safety valves, thereby preventing
the cooling of the heating surfaces.
In Bruß et al. (2000), a similar model is used to tackle the problem, involving
whether or not three from 4 over-sized safety valves would be sufficient to avoid an
inadmissible increase of pressure and temperature.
Pressure oscillations that occur during the opening and closing of safety valves—
and these can cause problems—cannot be predicted with these simplified models.
In cases with pressure oscillations, the momentum conservation law may not be
reduced to the pressure loss.
The simplified, transient power plant model is based on the model for boilers with a
section with a fluid considered as compressible and a section with a fluid considered
as incompressible, on the D model and on simple models for combustion, turbine
valves, etc., as described in the previous section. It therefore has all the weaknesses
of these models, i.e., the simplifications and the linearizations like constant physical
properties, etc.—and these can lead to significant errors, even with section-by-
section and load-dependent variation of the model factors. The level of detail is
also severely limited (this is, however, deliberate, in order to limit the number of
“integrators,” which used to be important when using an analog computer).
For the detailed power plant model—an approach which is in accordance with
the steady-state simulation (see Sect. 7.2) is chosen. Of course such a model delivers
much more detailed and precise informations, but vice versa also more detailed input
on, e.g., heating surface areas is needed for power plant simulations like this—so
this model can only be used when construction has been largely completed and such
information is known.
Simulation Objectives
In detailed, transient power plant simulations, we can simulate startup and shut-
down, emergencies, and of course the larger and smaller load changes (which can
also be calculated with simplified, transient models) in technical-energy plants—
and in particular carry out the simulations of gas and steam power plants with any
type of cycle, whereby usually more detailed modeling (or a more detailed study)
is required for the water vapor aspect than for the flue gas aspect. In addition to
verifying the guaranteed transient processes, the lifetime consumption, the layout,
the optimization, and the testing of regulatory instruments and controls, these power
plant models are also used for training simulators. Proposals to change the type of
cycle or construction of individual components are usually too late or they must be
limited to the vital tasks and details at hand.
Assemblies or components found in power plants are, on the one hand, pumps,
preheaters, evaporators (natural circulation, forced circulation and once-through
circulation), superheaters, reheaters, valves, and turbines, and on the other, medium
storage components such as feedwater tanks and drums.
A power plant also has different hierarchies of control loops. The parameters of
individual components like the outlet temperatures of the superheaters must in some
cases be controlled. The mass flows and steam parameters ahead of the turbine must
also be controlled with respect to, e.g., sliding-pressure, constant pressure, and other
operation strategies (see Sect. 7.3.1).
7.3 Transient Power Plant Simulation 667
The system is affected from the outside not only by the setting of the turbine
output or other set-point values, but also by a wide range of disturbances.
Individual components can be described sufficiently accurately without local
discretization, so ordinary differential equations (the so-called zero-dimensional,
transient models) are derived from balance equations containing local and temporal
derivatives or other equations (partial differential equations); see also Sect. 7.1.
If we consider these individual components in more detail, we see that they
have very different time constants, i.e., that the components react to external
changes at different rates. This behavior particularly depends on whether a lot
of mass and/or energy (with respect to the associated mass or energy flows) is
stored or released. Components with small changes in the stored mass and/or
energy react quickly and—in contrast to slow components—can be regarded as
being quasi-stationary, i.e., all the rate of change terms in the balance equations
(time derivatives) are disregarded and ordinary differential equations (without local
discretization) become algebraic equations.
So the result of the simplification is that the overall system of equations becomes
a differential-algebraic system of equations (DAE = Differential Algebraic Equation
system) (Brenan et al. 1995).
Components (Modules)
Quasi-Stationary Components
The following components can be acquired from the component library of the
steady-state power plant simulation (Sect. 7.2):
• Total energy/heat supply or removal
• Combustion chamber
• Mixing point of two flows
• Branching of a flow
• Water separator
• Steam turbine
• Gas turbine
• Pump
• Compressor and fan
• Throttle point
668 7 Power Plant Simulation—Transient and Steady-State
Transient Components
Only in rare cases can we also disregard the energy and mass storage of the
following components and thus use the steady-state models (if available) described
in Sect. 7.2:
• Water storage tank (feedwater tank, etc.)
• drum
• Compressed air receiver
• Heat exchanger
In general, these components must be transient and described as follows:
For simplicity, hStg and uStg are often equated with negligible error (has to be
proven).
Steady-state case:
Drums are modeled as transient and adiabatic; the transient mass and energy
balances apply. The drum operates at sliding-pressure and is intended for the
separation of the saturated steam from the boiling water and for short-term storage,
in particular of boiling water. Drums are thick-walled components with good heat
transfer—and that is why the energy storage of the pipe wall must be taken into
account in the energy balance.
The drum has a cylindrical shape. For the geometric description of the drum
(Fig. 7.21), we need the volume Vdru , the inner surface Adru;in;O , and the drum cross-
section occupied by the boiling water Af ;dru (see Eqs. (6.95) and (6.96)). To model
m2,h2
m4,h4
670 7 Power Plant Simulation—Transient and Steady-State
the heat transfer between water, vapor and the drum wall and the heat storage in the
drum wall, we must know the (averaged) heat transfer coefficient ˛ (more precisely
divided into boiling water and saturated-steam zone) and the inner surface Adru;in;O ,
as well as the mass of the wall mWa and the spec. heat capacity of the wall cWa .
The inlet mass flow mP 1 is the outlet flow from the evaporator and the inlet mass
flow mP 2 is from the economizer. Assuming complete separation of the water-vapor
mixture, the mass flow mP 3 is pure saturated steam and is determined iteratively
by means of p3 D p and the subsequent components. Under this assumption,
the mass flow mP 4 is pure boiling water. In natural circulation steam generator the
mass flow m P 4 is the result of the natural circulation through the evaporator. In a
forced circulation steam generator the circulation pump determines the mass flow
mP 4 . During forced circulation operation e.g. during part load, a control loop, which
controls the filling level of the water in the drum Hdru , controls the mass flow mP 4 via
a valve after the pump. In any case the water level in the drum is finally controlled
by the feedwater.
The initial filling level of the drum is set with the constant Hdru;0 . At the point in
time 0, wall temperature and the temperature of the medium are equal.
Transient case:
mdru
0 D Vdru C (7.156)
.hdru ; pdru /
dmdru
0D C mP 1 C mP 2 mP 3 mP 4 (7.157)
d
dmdru udru
0D C mP 1 h1 C mP 2 h2 mP 3 h3 mP 4 h4 C QP (7.158)
d
For simplicity, udru and hdru are often equated (this is only exactly true of changes
in enthalpy or in the internal energy of ideal gases with isothermal state changes).
(
h00dru for h0dru < hdru < h00dru
0 D h3 C (7.159)
hdru for hdru h00dru or hdru h0dru
(
h0dru for h0dru < hdru < h00dru
0 D h4 C (7.160)
hdru for hdru h0dru or hdru h00dru
0 D p1 C p3 (7.161)
0 D p2 C p3 (7.162)
0 D p4 C p3 (7.163)
0 D pdru C p3 (7.164)
0 D #dru C f .hdru ; pdru / (7.165)
0 D QP C ˛Adru;in;O .#Wa #dru / (7.166)
7.3 Transient Power Plant Simulation 671
d#Wa
0 D mWa cWa QP (7.167)
d
8
ˆ .1 xD /mdru
ˆ for h0dru hdru h00dru
<Hdru C 0 Af ;dru
ˆ
0D (7.168)
ˆ
ˆHdru for hdru > h00dru
:̂
Hdru C ddru;in for hdru < h0dru
(
h0dru for h0dru < h2 < h00dru
0 D h4 C (7.172)
hdru for hdru h0dru or hdru h00dru
0 D p1 C p3 (7.173)
0 D p2 C p3 (7.174)
0 D p4 C p3 (7.175)
0 D pdru C p3 (7.176)
0 D #dru C f .hdru ; pdru / (7.177)
0 D QP (7.178)
0 D #Wa C #dru (7.179)
The drum water level remains constant. The equation for the drum water level
corresponds to Eq. (7.168).
One example of a compressed air storage is the CAES (Compressed Air Energy
Storage) plant in Huntorf.1
1
Huntorf is the site of the world’s first CAES power plant, which went into operation in 1978. The
plant, operated by the E.ON Power Plant Company, was originally built to power the surrounding
nuclear power plants in case of failure of the electrical network.
672 7 Power Plant Simulation—Transient and Steady-State
env mStg,uStg
QWa,env QAir,Wa
Steady-state case:
Water vapor
QWa,D
Qg,loss
Qg,Wa
Gas Gas
Tube cross-section in
the volume element
Table 7.7 Balance and transport equations used for the heat transfer model in a boiler
Flue gas Tube wall Water-steam
Mass balance One- One-
dimensional, dimensional,
incompressible, – compressible,
(without storage transient
term) quasi-
stationary
Energy balance One- One-dimensional, One-
dimensional, transient, with average dimensional,
storage term temperature of the tube compressible,
disregarded, wall transient
quasi-stationary
Momentum bal- One-dimensional One-
ance reduced to loss dimensional,
of pressure, – compressible,
quasi-stationary transient
Heat transport From the flue gas to the tube wall From the tube wall to the
equation water-steam flow
In the case of static solid bodies, the use of the mass and momentum balances is
unnecessary, so only the energy balance has to be solved for the tube wall.
In the case of incompressible flows (a gas flow can be regarded as incompressible
up to roughly 1/3 of the speed of sound), the mass balance is greatly simplified
because the storage term is omitted. In the case of the energy balance, the storage
term can also be disregarded under certain circumstances and the momentum
balance can be reduced to the pressure loss equation. However, pressure oscillations
are then no longer predictable—so a flow like this is regarded as being quasi-
stationary. Table 7.7 lists the equations to be used for the three balancing areas.
7.3 Transient Power Plant Simulation 675
The water vapor side is modeled as a single-tube model using the transient
momentum, mass, and energy balances, as shown in Chap. 2.
@w @w2 @p
0D C S.; d; w; l; : : : / (7.200)
@ @x @x
@ @w
0D C (7.201)
@ @x
@h @hw
0D C S.QP Wa;D / (7.202)
@ @x
The pressure loss equations (simplified momentum balance) and the mass and
energy balances of the flue gas side are as follows:
dp l 2
0D Fric w (7.203)
dx dhyd 2
dmP
0D (7.204)
dx
P
dmh dQP g;Wa dQP g;loss
0D (7.205)
dx dx dx
The heat flow QP g;Wa , which is a function of flue gas temperature, consists of a
convective component and a radiation component. The energy balance equation of
the tube wall is as follows:
d#Wa
0 D cWa mWa C QP g;Wa C QP rad;Wa QP Wa;D (7.206)
d
Here heat conduction takes place in the tube (as assumed in Walter (2001)),
but perpendicular to the tube axis. The Nusselt correlations of the heat transfer
coefficients for the heat transport equation of the type.
0 D QP C ˛ A # (7.207)
m1 m2
Q
(Semi-Implicit Method for Pressure Linked Equations Revised) and was published
together with the discretization of Patankar (1980) based on Caretto et al. (1972),
Spalding and Patankar (1972b) and Patankar (1975)—it is explained in Sect. 3.5.3
and described in detail in Zindler (2007).
The following control-specific and logical components are also important for
transient procedures.
Measuring Point
A measuring point (Fig. 7.24) receives a measured value of a quality such as pressure
or enthalpy within a medium flow m, P converts it into a signal and outputs the
signal to a processing unit (which is often a controller). Usual measuring values
are pressure, temperature (or enthalpy), and mass flow. The state variables of the
measured mass flow mP 1 or mP 2 remain unchanged by the measurement.
0 D mP 1 C mP 2 (7.208)
0 D mP 1 h1 C mP 2 h2 (7.209)
0 D p1 C p2 (7.210)
0 D Si C Œp1 _ h1 _ mP 1 (7.211)
yinl,2
Fig. 7.26 Gain, multiplicator
yinl yout
KP
Gain
The gain (Fig. 7.26) is a control-specific component used to strengthen the signal
yinl by a factor of KP . A P controller, for example, is a gain. The result is yout .
Controller
According to Lutz and Wendt (2002), the controller (see Fig. 7.27) is mostly
designed as a parallel PID controller. Here the amplification factor is KP , the
derivative time is Tdt , and the reset time is Tit . Since the differential equation of
the controller is a differential equation of the 2nd order, this must be transferred
to the state space representation, i.e., two differential equations of the 1st order, by
substitution. To obtain the PD or PI controller, Tit ! 1 or Tdt D 0 can be specified.
678 7 Power Plant Simulation—Transient and Steady-State
0 D yinl;2 (7.217)
0 D yout C KI (7.218)
In the steady-state case, the inlet variable is yinl;1 D 0. The constant of integration
KI then determines the outlet value yout , which in turn corresponds to the output
value of the integrator at the time at which yinl;1 became zero.
Limited PID and PI controllers are often used in outlets alongside standard PID
controllers in today’s power plant technology. The boundaries yout;min and yout;max
stabilize the real power plant process. From a mathematical standpoint, however,
this is a discontinuity point and thus deviations from linear behavior occur. These
limitations must be given separate treatment, even in numerical calculations. The
transient controller equation is, e.g.,
Z
Kp
0 D yout C Kp yinl C kb yinl d (7.219)
Tit
Signal Sources
Signal sources (Fig. 7.28) are control-specific components; the signals yout are
specified as functions of time. The most important signals are constant—e.g., set-
7.3 Transient Power Plant Simulation 679
Transitions
are continuous
The function f ./ is defined by reference points as a vector of points. The values
between the reference points are linearly interpolated.
Limiter
A limiter (Fig. 7.29) limits signals yinl by an upper limit yinl;max and a lower limit
yinl;min . The simple truncation of values outside the limits causes discontinuities
that may adversely affect convergence behavior—and derivatives then become zero,
which leads to singular Jacobian matrices. The limiter is therefore put together as a
piecewise, composite function in a form in which the limiter function is monotonic
and differentiable. The constant and linear sections are linked with cubic functions
(see Fig. 7.30). Limiters are used, e.g., in set-point presentings in cascades.
680 7 Power Plant Simulation—Transient and Steady-State
yinl yinl;min
0 D y;inl C
yinl;max yinl;min
y;inl
0 D ytmp C
1000
0 D ytmp C y;inl
y;inl
0 D ytmp C C 0:999
1000
0 D yout C ytmp .yinl;max yinl;min / C yinl;min
Min/Max Operators
Min/max operators are often used in control engineering to select the set-point
values yinl;1 and yinl;2 (Fig. 7.31). At this point it must be noted that these operators
are a source of discontinuities—and the result of this can be an unsolvable system
of equations. The result of the evaluation is yout .
yinl,1 yinl,1
yout yout
yinl,2 Min yinl,2 Max
Min operator:
Max operator:
Integrators and differentiators are simple control components, with the help of
which a signal yinl can be manipulated. The outlet signal is yout . Tit is the reset time,
and Tdt is the derivative time. In Fig. 7.32, the transfer functions are represented by
the Laplace parameter s .
Z
1
0 D yout C yinl d (7.225)
Tit
dyinl
0 D yout C Tdt (7.226)
d
The equation of a PT1 lag element (Fig. 7.33) is an inhomogeneous, linear, ordinary
differential equation of the 1st order. The delay can be set using the time constant
T1 . The inlet signal is yinl and yout is the outlet signal.
dyout
0 D yout T1 C xinl (7.227)
d
Signal Splitter
The signal splitter (Fig.7.34) distributes the same signal to two information flows,
as is needed for the feedback of control loops, for instance. yinl is the inlet signal
and yout;1 and yout;2 are the outlet signals.
Cold Junction
yinl,2 yout
Switch
Depending on the switching signal Si, the switch (Fig. 7.36) returns the input signal
yinl;1 or yinl;2 as an output signal yout .
Logical Operators
The C notation also applies for logical operators (Fig. 7.37). Logical operators are
needed for the decision-making of switches, in that they collect information from
cold junctions. Here yinl;1 or yinl;2 are the input signals and yout is the output signal.
Logical “and”
Logical “or”
Mathematical Model
0 D fE.E
z; y/
E (7.238)
dyE
0 D gE ; zE; y;
E (7.239)
d
dyE dyE
0 D hE ; x; zE; y;
E ; (7.240)
d dx
A further difficulty arises from the fact that large density changes occur in the
heat exchangers due to large heat flows. If the heat exchanger is locally discretized,
this can lead to significant stability problems. In addition, there are problems with
derivatives, since the steam table has discontinuities.
In the case of transient calculations, the geometry of the components has to
be known in more or less detail, i.e., a steady-state calculation has already been
completed and at least a rough design exists. The physical-mathematical model
thus consists of a set of DAEs and/or a set of ODEs (PDEs in the case of heat
exchangers), a set of differential and algebraic variables, and a set of parameters.
All the components are connected by flows (fluid, energy, and momentum flows
as in the steady-state simulation), plus control, and regulatory signals, i.e., a flow
or signal leaving one component is at the same time an incoming flow or signal in
a different component. The equations that model the components are coupled via
these flows. To set up the system of equations, the graph theory procedure is used,
as in the steady-state simulation (see Sect. 7.2). All components are nodes. The
equations are located in these nodes. The nodes are connected by edges. Edges are
flows of any type. It follows that all the state variables are stored in the edges. Local
parameters such as time constants and more or less concentrated geometric data such
as volumes and surfaces can also be stored in the nodes or components. Initially,
all parameters are treated equally, i.e., it is not specified whether a parameter is a
variable or a constant. This can then be specified, depending on the problem to be
solved. Since the system of equations is implicit, we do not have to set it up again.
correction
prediction
w0 h1 Q pn
0 1 2 3 n
p1 wn-1 hn
FVM return vector:
In an example of outlet velocity, the coupling equations between PECE and FVM
are as follows:
0 1
pout;PECE
wn1 D wout;FVM D FVM @winl;PECE A (7.241)
hinl;PECE
We can use Eq. (7.242) to calculate the residual of the outlet velocity Rw in the
Newton method of the PECE. Since the Newton method is a targeted approach that
requires derivatives of all the equations, however, an approach is needed to calculate
derivatives of the finite volume method (FVM). This is very complicated, since the
FVM contains many equations.
Using a finite difference method (FDM) results in a minimum of programming
effort. However, the degree of accuracy is very low and the FVM would have to be
solved very often—and there is also the effort involved in organizing the variables
for each calculation.
Using a complex-step method (Martins et al. 2000, 2001b) would be a little more
elegant.
=Œf . C ih/
f 0 ./ D lim (7.243)
h!0 h
The derivatives of the complex step are very accurate, but they have the
disadvantage that all calculation routines would have to be executed as a template,
which enables complex and floating-point numbers to be used. Calculations with
complex numbers are also approximately 15 times slower compared to floating-
point numbers in C++.
Another method for calculating the derivatives of entire systems of equations is
the adjoint approach described in Sect. 3.7.7. Here a distinction is made between
the optimization functions (residual equations) R of the PECE and the physical
boundary condition (individual balance equations to be optimized) Bk of the FVM.
7.4 Verifying the Solvability of the Steady-State System of Equations 687
We also differentiate between the PECE design variables rj and the FVM variables
bk . A linear system of equations results from the derivation of the adjoint approach
T
@R @Bk
D k (7.244)
@bk @bk
with the help of which we can determine the vector of the adjoint variable k .
Using k , the derivatives can be calculated as follows:
dR @R @Bk
D C k (7.245)
drj @rj @rj
Setting up the system of linear equations (7.244) turns out to be quite compli-
cated, since all partial derivatives @B k
@bk were calculated analytically and the density
must not be considered as constant, but as a function of pressure and enthalpy.
These derivatives are determined using the IF97 (IAPWS 1997). The resulting
system of equations is very sparse. A good way of solving it would be to use an
LU decomposition, since in this case the matrix @B k
@bk only has to be decomposed
once and can subsequently be used several times depending on the different R. The
implementation of the adjoint approach is independent of FVM implementation and
can take place in parallel. See also the description of the heat exchanger component
in this chapter.
More information about the detailed boiler model can be found in the work of
Zindler (2007).
Example
In Fig. 7.40, the Karlsruhe gas and steam turbine combined-cycle plant of the RDK4
Rheinhafen steam power plant is shown (see Zindler (2007)).
Using a detailed simulation model (as described in this section and in Zindler
(2007)) can achieve results that reproduce the measured values very well. See
Fig. 7.41.
7.4.1 General
Power plant simulation programs solve systems of non-linear equations and are
so complex that the program may not perform a calculation at all, despite input
being apparently complete—so we should verify that the equation system is solvable
before we start such a program. This topic is dealt with in Apascaritei (2008).
688 7 Power Plant Simulation—Transient and Steady-State
GT system
CW-PH
HP-ECO 1 LP-ECO
LP-Evap 1
Injection
LP-Evap 2
HP-ECO 2
GT system
HP-ECO 3 LP-SH
HP-Evap 1
HP-SH RH
HP IP LP
Injection
Fig. 7.40 Schematic diagram of the combined-cycle plant RDK4S according to Löhr (1999)
(modified), with the designations GT = Gas turbine, LP = Low-pressure steam turbine, IP =
Intermediate pressure steam turbine, HP = High pressure steam turbine, CW-PH = Cold water
preheating, ECO = Economizer, Evap = Evaporator, SH = Superheater, and RH = Reheater
3.5
3.0
h [MJ/kg]
h Evap,out,calculated
2.5
h Evap,out,measure
h SH,out,calculated
h SH,out,measure
2.0 h Evap,inl,calculated
h Evap,inl,measure
1.5
0 500 1000 1500 2000 2500 3000
[s]
Fig. 7.41 Comparison of the enthalpy curves of the simulation calculation with measured values
at an increase from 68 to 97 % in gas turbine output
7.4 Verifying the Solvability of the Steady-State System of Equations 689
Basically, three cases can be distinguished and these can be described as follows
if we use the Newton–Raphson method (this uses the Jacobian matrix):
• The number of unknown parameters (variables) to be calculated is greater than
the number of equations. The Jacobian matrix of a system of equations like this is
horizontally rectangular, i.e., it has more columns than rows. In this case there are
infinitely many solutions or a corresponding number of variables may be freely
selected.
• The number of variables corresponds exactly to the number of equations. The
Jacobian matrix is quadratic, i.e., it has the same number of columns and
rows. The system of equations can clearly be solved if the Jacobian matrix is
nonsingular. The Jacobian matrix is singular, if
– the system of equations is structurally singular or
– two or more equations are linearly dependent (numerical singularity).
• The number of variables is less than the number of equations. The Jacobian
matrix is then vertically rectangular, i.e., it has more rows than columns.
Contradictions generally arise in this case and the system of equations cannot
be solved.
A structural singularity exists if the specified (or measured) variables are not dis-
tributed properly, resulting in sections remaining under-determined—so a structural
singularity is not caused by the numerical value of a specified variable, but by the
selection of the variables that are specified.
An occurrence matrix will reveal structural singularities. An occurrence matrix
is one in which the rows represent the equations—if the variable of the column is
contained in the relevant equation, a 1 is in the matrix columns and if this is not the
case, a 0 is in the column instead of the 1.
Under-determined sections or horizontal submatrices of the variables with zeros
can be found using a sorting algorithm described in Apascaritei (2008).
Even if these two verification tests (same number of variables and equations,
no under-determined sections) are successful, a numerical singularity may still be
present.
690 7 Power Plant Simulation—Transient and Steady-State
mP 2 mP 1 D 0 (7.247)
mP 3 mP 2 D 0 (7.248)
mP 4 mP 3 D 0 (7.249)
mP 1 mP 4 D 0 (7.250)
If the mass flow mP 1 D 1 kg=s is given, 3 unknown mass flows remain, namely
mP 2 , mP 3 , and mP 4 and this leads to the following occurrence matrix Aocc :
0 1
100
B1 1 0C
Aocc D B C
@0 1 1A (7.251)
001
We can clearly see that we have one equation too many—and in a program with
occurrence matrix testing, the system would then be seen as being unsolvable—so
yet another parameter must remain variable, namely mP 1 . This results in the following
occurrence matrix Aocc :
0 1
1100
B0 1 1 0C
Aocc D B
@0 0 1 1A
C (7.252)
1001
However, the verification of the numerical singularity with the transposed
Jacobian matrix and the orthogonal and upper triangular matrix now results in
0 1
1 0 0 1
B 1 1 0 0 C
JT D B@ 0 1 1 0 A
C (7.253)
1 0 1 1
0 1
0:707 0:408 0:289 0:500
B 0:707 0:408 0:289 0:500 C
Orthogonal matrix D B@ 0:000
C (7.254)
0:816 0:289 0:500 A
0:000 0:000 0:866 0:500
0 1
1:414 0:707 0:000 0:707
B 0:000 1:225 0:816 0:408 C
Upper triang. matrix D B
@ 0:000
C (7.255)
0:000 1:155 1:155 A
0:000 0:000 0:000 0:000
Qsup
m1 m2
Pel,sup
Pel,ab
m4 m3
Qab
Fig. 7.42 Simple steam-water cycle consisting of four components (Apascaritei 2008)
P = 3.5109 MW
m = 1 kg-per-s
p = 100 bar
m = -8.9123e-19 kg-per-s
# = 600 grd-C
# p = 1 bar
= 25 grd-C
# m = 1 kg-per-s
m = 1 kg-per-s
p = 100 bar m = 1 kg-per-s p = 100 bar
= 25.21 grd-C # p = 100 bar = 600 grd-C
# = 600 grd-C
P = 0.010088 MW # P = 0 MW # P = 0 MW P = 1.1511 MW
m = 1 kg-per-s
# p = 0.1 bar
m = 1 kg-per-s = 45.808 grd-C
p = 0.1 bar
# = 25 grd-C
Fig. 7.43 Simple steam-water cycle with a mixing point to avoid numerical singularity (Apas-
caritei 2008)
7.4 Verifying the Solvability of the Steady-State System of Equations 693
To avoid this situation, a mixing point outside the closed cycle must be added—in
a simulation with ENBIPRO, this then leads to, e.g., the results shown in Fig. 7.43.
Similar problems can occur in the closed cycles of substances, energy, momen-
tum, etc.—these can be solved in a similar way by practically negligible mixing
points, sources or sinks, pumps, turbines or storage, etc.
Chapter 8
Monitoring
8.1.1 Introduction
The advances in measurement, regulation, and I+C technologies (e.g., the transition
from analog to digital technology, introduction of bus systems, etc.) and the use
of PCs everywhere in power plants and in administration have led to increasing
improvements in the processing and analysis of the wealth of information that
accrues in a power plant (e.g., temperatures, pressures, mass flows (water, steam,
air, and fuel), number of revolutions, switching conditions, positions, shifts, sound,
etc.). They have also resulted in the monitoring and diagnostic examples (shown in
Leithner et al. (1983b) and Leithner and Erlmann (1993)) being used today in many
power plants, etc., and in the partial realization of earlier visions. One additional
pressure factor to accelerate this development, which enables personnel savings
without loss of safety, availability, and quality of the operation (e.g., efficiency,
auxiliary materials consumption, etc.) or which attains even higher values (in some
cases with less personnel), is the liberalization of the electricity market.
The aim of this development is the generation of electricity at minimum cost, i.e.,
the following factors are taken into account, or the sum of the costs associated with
these influences is minimized:
• Efficiency, operational quality (economic mode)
• Maintenance, investments
It is the task of diagnostic systems to derive the following from the measured,
calculated, analyzed, and validated data of a system (i.e., from all components):
• whether the components are being optimally operated considering their designs
and their tasks, i.e., also with respect to their environment, or
• whether deviations from optimal operation exist,
• what lies behind these deviations, and
• how long the components can continue to be safely operated or when the next
maintenance procedure is appropriate at the earliest, or necessary at the latest.
It is appropriate to continue increasing the cost of monitoring, analysis, and
diagnostics as long as more cost savings (than the sum of the monitoring costs)
can be generated through
• operation optimization (an increase in the efficiency, reduction of other operating
resources, such as ammonia or lime requirement)
• the prevention of damage (property damage and personal injury), consequential
damages, etc. (downtimes/repair times, etc.)
• the avoidance of non-availability
• the reduction of maintenance costs (repairs or replacement of parts neither too
early nor too late, i.e., condition-oriented, knowledge-based, and risk-oriented
maintenance)
• personnel cost minimization in these tasks.
From experience it can be said that the costs of monitoring, analysis, and
diagnostics are usually overestimated and the savings underestimated, because
major damage which has been avoided often justifies the entire cost of such systems.
However, quantifying these savings is not a trivial matter, because to this end
probabilistic techniques to evaluate the tolerability of errors, assess the risks, and
reduce damaging events or their costs and downtime costs must be applied, as
described, e.g., in Schröder and Foos (2000).
In the VDI 2888, “Maintenance Condition Monitoring,” the following definitions
and explanations are included:
Figure 8.1 shows a basic classification of diagnostic procedures. Hybrid systems
are mostly realized and these combine the advantages of each procedure in useful
manner. In the signal analysis, prepared characteristics (e.g., from correlation
analysis or spectral transformation) are compared with limiting values, from which
an error is deduced.
Statistical diagnosis establishes a probable relationship of the cause and effect
of error, based on statistical characteristics. It is usually suitable for small problem
areas of limited complexity, or for sub-problems of large systems.
8.1 Operation Monitoring 697
Diagnostic
procedures
Rule-based,
Signal analysis Analytical models
fault trees
Statistical Pattern
Signal analysis
procedures recognition
Inverse
PAAG method
The inverse PAAG method is based on the PAAG method (German version of
HAZOP, similar but not identical to safety assessment method) used in process
engineering (see also Eutener et al. (1989))—cause–effect matrices are created. An
example of this can be found in Mair (1997).
The VDI 2889 draft covers the topic of “state and process monitoring methods
and systems for maintenance” in detail.
Ultimately, diagnostic systems should fit into the chronological progress: draft,
design, calculation, construction, simulation, assembly, commissioning, operation,
and dismantling (life cycle).
Most importantly, all design, calculation and construction data, and calculation
methods should be incorporated into the selection which has been optimally carried
out in the context of simulations (or in the definition of the diagnostic system) and
assembly and all phases of operation should be recorded; i.e., an attempt should
be made to approximate the target of a “glass or virtual power plant” as closely
as possible (see also Jopp (2000))—as long as it is economical. This would at the
same time attain a life cycle assessment; all essential data over the entire life cycle
would be made immediately available and processed—and that would be of great
importance for the optimization of the operation as well as for the optimization of
future systems.
If we extend the scope of diagnostic systems by a knowledge acquisition
component (Fig. 8.2), we attain the transition to the expert system. Unfortunately,
after what was probably a too-early start, the systems have not achieved the degree
of success that some had expected. Nevertheless, there are some approaches to this
end, even in power plant engineering (Buchmayr et al. 1990; Burger 1991; Erler
et al. 1992; Betz et al. 1992).
Diagnostic component
Knowledge base
Fig. 8.2 Component structure of a dialog-oriented expert system (Eich et al. 1989)
8.1 Operation Monitoring 699
In order to structure the diagnostic tasks and to thus have a better overview, a
structure should be employed like that which is used in the control system. The
following list is very brief—it does not claim to be exhaustive:
• fuel supply and combustion chamber:
diagnosis of coal storage, oil tank, gas relaxation, grinding plant, burner,
coal or oil quality, Wobbe number, air distribution, infiltrated air, air preheating,
pollution detection, and corrosion
• steam generator and water-steam cycle:
soot blower optimization (calculation of reference heat transfer coefficients,
see Sect. 8.3), calculation of flue gas losses, calculation of boiler efficiency, ther-
modynamic simulation of the whole circuit, heat exchanger diagnosis, diagnosis
of the feed pumps, diagnosis of condensate pumps, diagnosis of relevant auxiliary
pumps, optimization of primary control, optimization of part-load operation,
pressure losses, and feedwater quality
• steam turbines and condenser:
calculation of turbine efficiencies, calculation of heat consumption, calcula-
tion of the valve pressure losses, vibration diagnosis, diagnosis of the bearings,
diagnosis of the oil system, diagnosis of the gland steam system, diagnosis of the
condensing unit, and diagnosis of the condensate polishing plant
• gas turbine:
efficiency calculation, calculation of performance data, diagnosis of the
injection water-steam system, vibration diagnosis, diagnosis of the bearings,
diagnosis of the oil system, and diagnosis of the cooling system, diagnosis of
the compressor cleaning system, diagnosis of the intake and flue gas paths
• generator:
diagnosis of the cooling system, diagnosis of rod temperatures, diagnosis of
the H2 seal, diagnosis of HF interference voltage pulses, vibration monitoring,
and performance data monitoring
• machine transformer:
transformer diagnosis
• piping and channels:
life monitoring of thick-walled components (but also of channels with stiffen-
ers), diagnosis of the hangers, diagnosis of the shifts, diagnosis of the armatures,
vibration diagnosis, and diagnosis of the compensators
• flue gas desulfurization (FGD):
diagnosis of the degree of desulfurization, operational optimization
(temperature, consumption of limestone, etc.), optimization of pump opera-
tion and water management, and emission monitoring
700 8 Monitoring
Required scope:
Diagnostic systems should of course be so comprehensive as to guarantee
• safety and
• availability, with
• a minimum of personnel and also ensure that the system
• is optimally operated (with minimal costs) and also that
• maintenance costs are minimized.
Above all, the following basic functions must be present, such as those used in
Blanck and Grün (1997):
Monitoring:
• acquisition of measured values and conversion
• validation of measured values and message output if validation is not possible
• storage (archiving)
• comparison of measured values with limiting values
• incident detection and recording
• visualization in the form of charts, graphs, and tables
8.1 Operation Monitoring 701
Table 8.1 Overview of diagnostic modules from Eckel et al. (1997) with own additions and
changes
Acronym Task Manufacturer
SÜS Vibration monitoring system Siemens
COMOS COndition MOnitoring System ISTec
COMOS-Z System solution for forced circulation pumps ISTec
VIBROCAM VIBRatiOn Control And Monitoring Schenck
BESSI Non-contact blade vibration information system Siemens
KAS Structure-borne noise analysis system AZT
KÜS Structure-borne noise monitoring system Siemens
LENA Lifespan detection program Bayernwerk
FAMOS FAtigue MOnitoring System Siemens
DIGEST DIaGnostic Expert SysTem Siemens
ASS ARmature Service System Siemens
ARDIS ARmature DIagnostic System ISTec
BDE/BDV/SI Operating data acquisition/operating data Evonik Steag
management/maintenance system GmbH
EBSILON Power plant cycle diagnosis SOFBID
ESR Expert system for the residual lifetime estimation and MPA Stuttgart
damage analysis
TLR Turbines lifespan calculator Siemens
OPTIMAX Turbo kit, cooling water, flue gas cleaning, feed ABB Utility
pumps, condensate system, etc.
SIENERGY Sales, consumption forecast Siemens
SR4, DIGEST Boilers, vibrations etc.
ANDI/KEDI Boiler diagnosis, lifespan, mills, flue gas pressure loss, Babcock Borsig
etc. Power
BAUBAP Component strain evaluation program lifespan TU BS, IWBT
thick-walled components
SR4 Block diagnosis for lifespan, also incorporating KETEK
third-party modules
POPTYS/DORA Block diagnosis, circuit, soot blowers, etc. Alstom
Analysis:
• calculation of characteristic values and set values
• short- and long-term storage of parameters
• comparison of set values and actual values
• reporting of impending disturbances
• visualization in the form of charts, graphs, and tables
Diagnosis:
• linking and interpretation of measured values and parameters
• evaluation of the current process state (e.g., efficiency, lifetime consumption,
etc.)
702 8 Monitoring
In addition to creep stress, which will increasingly gain in importance in the case
of future power plants with their high temperatures and pressures (up to 700 ı C and
350 bar), a second type of stress occurs in all power plants, one which also reduces
the lifespan of the thick-walled boiler components—load change stress (fatigue).
This is caused by stresses that arise due to the internal pressure and temperature
differences across the wall cross-section during load changes.
8.2 Lifespan Monitoring 703
Direct measurement of the wall temperature difference represents the most widely
used method of determining this difference. It consists of two thermocouples in
boreholes. One of the two holes has a depth in which a residual wall thickness
of approximately 3 to 5 mm is left. The depth of the second hole corresponds
approximately to half of the wall thickness (Fig. 8.3).
The measured temperature difference—even with quasi-stationary correction—
does not exactly correspond to the relevant temperature difference for the thermal
stresses. Added to this we have errors caused by inexactly determined wall
thicknesses of the components and the imprecisely determined position of the
thermocouple measuring point, etc. (Pich 1979; Steege 1988; Leithner et al. 1990).
s Wa
sWa /2
Vapor flow
704 8 Monitoring
Inner Outer
surface surface
The realization that direct measurement is inaccurate and associated with high
maintenance costs—plus the advent of inexpensive and powerful computers in the
1980s—led to the possibility of replacing measurements by calculations. To this
end, the first approach involves leaving out one measuring point (Fig. 8.4). Common
to the different algorithms is the calculation of the wall temperature difference from
the temporal profile of the temperature at one location, e.g., closely below or on
the outside of the wall (if boreholes are not allowed, for instance). Measurement
errors made in the latter method are described in Jacob and Hildebrandt (2001). The
algorithms also provide the temperature profile above the wall and consequently the
heat flow density at the inner surface. Unfortunately, in very fast steam temperature
changes, etc., these procedures are often unstable (Speitkamp 1988; Taler 1995;
Taler and Lehne 1996).
In Lehne and Leithner (1997a, 1998, 2000) a method is presented that makes it
possible to calculate the wall temperature difference from the measured quantities
of the steam temperature, the steam pressure, and the steam mass flow (all of which
are in any case required for process control). The procedure consists of the following
four steps:
(a) Calculation of the steam-side measuring sleeve surface temperature #clad;in
and the heat flow density qP from the recorded measurement values within the
measuring sleeve #clad;a (as in the method with a measuring point), Fig. 8.5.
8.2 Lifespan Monitoring 705
Measuring sleeve
clad,in
(b) Calculation of the “real” steam temperature #D from the calculated steam-side
measuring sleeve surface temperature #clad;in , the heat flow density qP , and the
heat transfer coefficient ˛clad of the measuring sleeve, which in turn is calculated
from Nusselt numbers by means of the steam temperature #D , the measured
mass flow, and the measured steam pressure, as per the equation:
qP D ˛clad #D #clad;in (8.1)
(c) The heat transfer coefficient ˛Ce at the component is calculated using similarity
relations from the heat transfer coefficient of the measuring sleeve.
(d) Numerical calculation of the temperature field in the component wall (according
to Patankar (1980)) to determine the temperature difference between the integral
average wall temperature and the inner wall surface temperature using the steam
temperature temporal profile #D and the heat transfer coefficient ˛Ce at the
component.
The calculation method was applied to the steam temperature, steam pressure, and
mass flow measurement data from the final stage superheater area of the Ibbenbüren
power plant. Figure 8.6 shows an example of the comparison of the calculation
results with the wall temperature difference measurement values at one of the live
steam headers.
The calculation method reflects the measured wall temperature difference curve
very accurately.
706 8 Monitoring
50
measurement
30
20
10
-10
-20
-30
8000 10000 12000 14000 16000 18000 20000 22000 24000 26000 28000
Time [s]
Fig. 8.6 Comparison between the measured and the calculated wall temperature difference curves
at a live steam header in the Ibbenbüren power plant
In another scientific project (Lehne and Leithner 1997b), new methods of deter-
mining local heat transfer coefficients sufficiently accurately—without knowing
the steam mass flow—were researched because, on the one hand, the greatest
temperature differences occur during condensation and mass flow plays no role
at all—and, on the other hand, the mass flow, especially at startup and at partial
load (operating conditions which are particularly relevant for extreme stress values),
usually cannot be measured very accurately, nor can it be divided into individual
paths.
The basis of the algorithm is the calculation already used for the steam-side
measuring sleeve surface temperature #clad;in and the heat flow density qP i at the
measuring sleeve (from the temperature curve inside the measuring sleeve #clad;a ).
8.2 Lifespan Monitoring 707
Assuming that
• the heat transfer coefficient ˛clad only changes slightly over short periods of time
and can therefore be regarded as being constant over several time periods and
that
• during these short time periods, the steam temperature #D in a first approximation
changes linearly and that
• constant time periods are used,
the following equation system for the times 1 , 2 , 3 can be established; here qP j
with #clad;in;j (j D 1, 2, 3) are known, while ˛clad and #Dj are required:
Heat flow density
at the time 1 qP 1 D ˛clad #D1 #clad;in;1
at the time 2 qP 2 D ˛clad #D2 #clad;in;2
at the time 3 qP 3 D ˛clad #D3 #clad;in;3
#D1 C #D3
#D2 D (8.2)
2
This system of four equations with four unknowns gives us the desired heat
transfer coefficient after just a few transformations
qP 1 C qP 3 2Pq2
˛c lad D (8.3)
2#clad;in;2 #clad;in;1 #clad;in;3
heat transfer coefficient curve over successive time steps—this is described in more
detail in Lehne and Leithner (1997b).
The wall temperature difference (which we require) in the thick-walled compo-
nent can then be calculated by exactly the same procedure previously used with
available mass flow measurement (calculation steps c and d). As a by-product of
the procedure, we also obtain the steam velocity from the Nusselt equations and the
density from the measured values for pressure and temperature and from a steam
table. The mass flow can then be calculated using the flow cross-section.
In Fig. 8.7 the calculation results are compared with measurements of the wall
temperature difference of a live steam header in the Ibbenbüren power plant. Here
several variants for the smoothing of the heat transfer coefficient curve at points of
discontinuity are compared. In the example above, the calculation results are almost
the same in spite of different smoothing methods and they match the measured
values well. This confirms the basic suitability of the newly developed calculation
method. However, the calculated extreme values are smaller than the measured
50
30
20
10
-10
-20
-30
0 5000 10000 15000 20000 25000 30000 35000 40000 45000 50000 55000 60000 65000
Time [s]
Fig. 8.7 Comparison between the corrected measurement of the wall temperature difference curve
and the calculated wall temperature difference curves without mass flow measurement at a live
steam header in the Ibbenbüren power plant
8.2 Lifespan Monitoring 709
In the case of components submitted to fluctuating stresses or those that are operated
within the creep range, the calculated lifetime consumption and lifetime exhaustion
rate can be continuously calculated in accordance with the relevant European
standard EN 12952 (formerly TRD 508). A program can automatically carry out
this monitoring and the registration of the operating data.
The data necessary for lifetime monitoring—viz. steam pressure, average wall
temperature, and wall temperature difference—is requested of all thick-walled
components (Fig. 8.8) in a time cycle and classified in an appropriate manner
(Fig. 8.9). A registry monitoring ensures that from the sheer abundance of these
readings, only the necessary data is further processed and registered for later
evaluation. This data is then passed to a calculation module, which determines the
stresses in the component in accordance with EN 12952. Another module is located
upstream of the evaluation of fatigue damage—it filters out irrelevant load changes
E , , q
s Wa
d in
conv
s Wa
m in
Messstellen - Nr.
+ - Measuring point No.
Uhrzeit
p m m in
Time
Fig. 8.8 Measurement data, geometrical data, materials data for the calculation of the lifetime
710 8 Monitoring
m
Class interval
Wall temperature
Registered
temperature curve
True
temperature curve
Time
Internal pressure p
Registered
pressure curve
true
pressure curve
Time
hole edge stress
Fig. 8.9 Registration of the measurement data for the calculation of the lifetime
from the stress curve (Fig. 8.10), determines the extreme values of the bore hole
edge stresses, and initiates registration. The modular structure of the program also
enables easy adaptation to calculation rules which could possibly change in future.
In the following modules, the lifetime consumption through creep (creep strain) and
fatigue (load change stress) is determined from these stresses, then displayed on a
monitor, or output to a recording strip or log (Fig. 8.11). Lifetime consumption rates
are also calculated, from which unfavorable operating conditions can immediately
be recognized.
8.2 Lifespan Monitoring 711
(2)
i
ideal-elastic stress
(3)
Time
i
(1)
i
Fig. 8.10 Determination of extreme value sequences and associated load changes
Classification
Data base
Classification
Registration Materials
monitoring Geometry
Filtration
Stress
determination
Extreme value
filter
Lifetime Lifetime
consumption consumption
through fatigue through creep
Registration Display
8.3.1 Basics
We get all kinds of information about the current operating condition of the
steam generator from the validation of the measurement data as per Sect. 8.5;
this particularly includes information about efficiency, useful heat output, fuel
consumption, and the fouling factor of the individual heating surfaces. The latter
is defined as the ratio of the current overall heat transfer coefficient to the reference
overall heat transfer coefficient:
kcurr
ffo D (8.4)
kref
Here a reference state is described as one where the manufacturer must demon-
strate the validity of guaranteed operating data in an acceptance test. Since the
acceptance test is carried out only after the trial run, we must expect basic fouling
in this case—so the overall heat transfer values kref determined by measuring and
balancing in the reference state usually deviate from the theoretically determined
values ktheo by a factor of ffo;ref .
kref
ffo;ref D (8.5)
ktheo
For the future application of equation (8.4) to determine the fouling factor ffo ,
kref must therefore be calculated (each time) for the current operating data from the
following:
8.3.2 Applications
The online diagnosis obtained by the measurement data validation (Sect. 8.5)
enables the following applications (inter alia):
• Operational optimization of the plant by changing the settings of components like
burner, mill, flue gas recirculation system, etc. Optimal operation is thermally
8.4 Online Optimization of Combustion Systems 713
Regarding what happens in a steam generator, there are two areas about which we
usually have only a minimum of information—combustion and pollutant formation
in the furnace. This unfortunate state could be remedied through a combination of
measurements (sonic pyrometry is above all a simple, quick, and relatively accurate
measurement method here) and the 3D simulation of the furnace.
us D u0 C .u1 u0 /s (8.9)
vs D v0 C .v1 v0 /s (8.10)
A function,
1
FD p (8.11)
Kc T
8.4 Online Optimization of Combustion Systems 715
Flue gas
suction for
beater wheel
mills
Acoustic temperature
measuring instruments
Main burner
Ignition burner
is defined in line with Eq. (8.8). A two-dimensional Fourier series can be used to
represent this temperature field. With us and vs from Eqs. (8.9) and (8.10), we obtain:
1
X
F D f .us ; vs / D Aij cos.ius / cos.jvs / (8.12)
iDjD0
The Fourier coefficients Aij which are necessary for the correct reproduction of
the temperature field (and consequently for that of the temperature profile) can be
determined using two-dimensional Fourier series expansion and the integration of
the transit times of the sonic signal along the measuring sections. Taking Eq. (8.11)
716 8 Monitoring
x
l
L
X
l
us,vs s= L
x
u= X
u0,v0 y
y
v= Y
into consideration, f .us ; vs / from Eq. (8.12) inserted into Eq. (8.8) gives us:
Z L
tt D f .us ; vs /dl (8.13)
0
If we substitute Eqs. (8.9) and (8.10) for us and vs in Eq. (8.12) and insert the
Fourier series expansion into Eq. (8.14), we obtain the following after integration:
1
L X sin.iu1 C jv1 / sin.iu0 C jv0 /
tt D A00 L C Aij
2 iDjD0 i.u1 v0 / C j.v1 v0 /
(8.15)
sin.iu1 C jv1 / sin.iu0 C ju0 /
C
i.u1 v0 / C j.v1 v0 /
The transit time of the sonic signal is thus dependent on the coordinates for the
measuring instrument positions and on the Fourier coefficients. The coordinates u
and v of all measuring instruments are known, so in this case there are twenty-eight
equations for determining the Fourier coefficients.
Usually a Fourier series is canceled after a finite number of terms, e.g., after
the fourth term. The number of Fourier coefficients determines the accuracy of
8.4 Online Optimization of Combustion Systems 717
the curves and profiles to be tracked. Since twenty-eight measuring sections exist
here, a maximum of twenty-eight Fourier coefficients can be calculated. In Derichs
and König (1990), 20–40 % of the equations statistically validate the calculated
coefficients—this compensates for possible interferences in signal transmission and
thereby for errors in the transit time measurement.
transmitting/receiving units are regarded as points, the measuring sections are seen
as straight lines.
ART is an iterative method where the calculated transit times are compared to
the measured times after each step—correction of the element temperatures is then
performed from the results.
Figure 8.15 compares temperature curves from suction pyrometry and sonic pyrom-
etry (Derichs et al. 1991). Here the temperature values measured by means of
suction pyrometers at four different points on the front wall of a 1800 t/h boiler
at a depth of 4.6 m are combined to form a curve. The temperature distributions
determined at the same time by sonic pyrometry are also shown in the diagram as
curves.
1250 A
°C x
x
x x
1200
x
x
1150
x x
F
Temperature
1050
20
m
1000
10
measurement depth
950 4.6 m
0
0 10 m 20
Furnace width
900
0 5 10 15 m 20 5 10 15 m 20
Furnace cross-section Furnace cross-section
Suction pyrometers Sonic pyrometry Suction pyrometers Sonic pyrometry
Sonic pyrometry
3D combustion NOx
NOx - measurement
SO2
chamber Slagging
SO2 - measurement
model Unburned material
in the fly ash
Controller
Combustion
chamber
Fig. 8.16 Optimization of combustion by sonic pyrometry and combustion chamber simulation
(Leithner and Erlmann 1993)
l<nCm and
l>m
because the measured data will not fulfill the equations because of the unavoidable
measurement errors or because of false measurements. The measured data have to
be corrected. If
lDm
the free variables can be calculated using the l equations and the unavoidable
measurement errors seem to disappear because the free variables are calculated with
such errors, that the functional relationships (balance equations etc.) are fulfilled.
8.5 Validating Measured Data 721
P1 Cm
m P2 D m
P3
There is only one equation, i.e., l D 1. If only two flows are measured n D 2
and m D 1. The result is that l D m and no validation is possible. If all three flows
are measured—n D 3 and m D 0—and therefore l < n C m and l > m is fulfilled
and validation is possible and necessary, because the three measurements will not
fulfill the mass balance without correction. Using a correction calculation, non-
contradictory estimated values can be determined from the raw measured values.
These non-contradictory values can be interpreted as the data of the statistically
most probable process state (see Fig. 8.17).
In power plants, validation is used as standard in the evaluation of acceptance
tests since the 2001 release of the final version of VDI guideline 2048, “Uncer-
tainties of measurement during acceptance tests on energy-conversion and power
plants.”
Since C.F. Gauss’s days, the method of least squares has been used to match data
which has been measured several times. The basics of data validation based on the
Gaussian approach and the detailed closed mathematical derivation can be found in
the extensive relevant literature, e.g., Streit (1975), van der Waerden (1977).
In many publications simulated values are compared with measurements, often
without giving the confidence interval of the measurements and nearly always
without validation of the measurements. But it is not really useful to compare
simulation results, which automatically will/should fulfill balance equations, etc.,
with not validated measurements, which do not fulfill the balance equations anyway.
Both, the simulation results and the measurements cannot be trusted really.
722 8 Monitoring
f1 .x1 ; : : : xn / D 0
:: :: (8.16)
: :
fl .x1 ; : : : xn / D 0
or in vector notation:
Ef .Ex/ D 0
If we insert the observed values directly into the system of equations (8.16), the
system will be contradictory due to the inevitable errors of the observations.
The values that satisfy the system of equations are assumed to be the true values
and an optimum set of improvements vi is sought; when linked to the observations
this set results in the true values xi which satisfy the system of equations (8.16) in a
non-contradictory manner. The following therefore applies to these improvements:
Ex D bE C vE
In vice versa form, the observations bi consist of the unknown, true values xi
(which do not cause any contradictions in the system of equations) plus the error ei
bE D Ex C Ee
Regarding the optimization problem, C.F. Gauss (in the early nineteenth century)
proposed the minimization of the sum of the error squares of the observations to
their true values e2i as a possible way to a solution:
X
n X
n
!
e2i D .xi bi /2 D min (8.17)
iD1 iD1
Alternatively, Laplace (at around the same time) postulated the minimization of
the sum of the absolute values of the errors:
X
n
!
jei j D min
iD1
8.5 Validating Measured Data 723
The fact is, however, that the errors are not known and different methods to
determine these “probable errors” are plausible and applicable, but lead to different
“probable errors.” The equation
!
max jei j D min
lim '.ei / D 0
e!1
lim '.ei / D 0
e!1
• Positive and negative errors occur equally frequently, so the function is symmet-
rical.
'.ei / D '.ei /
The clearest comparison of several similar error distributions with one another can
take place via a characteristic variable. The expected value of an error distribution
'.ei /
Z 1
E.ei / D ei '.ei / dei
1
1
The above principle of error estimation is now applied to the system of equa-
tions (8.16). The required results xi consist of the original values bi and the error
ei . The unknown probability density of the potential occurrence of ei is '.ei /. It is
assumed that this function has the same form for all n error distributions, i.e., the
error distributions are of the same type—the distributions can then be compared with
8.5 Validating Measured Data 725
one another via their variances. The average of all of these variances is the simplest
characterization size, through which all error distributions can be estimated in
concentrated manner. It specifies—as a variance—an average distribution resulting
from all existing distributions—and of the same type as these available distributions.
These observations are now adjusted in such a way that the average distribution has
the minimum possible average error:
!
E.Var.e1 /; : : : ; Var.en // D min (8.18)
1X
n
!
E.Var.e1 /; : : : ; Var.en // D E.e2i / D min (8.19)
n iD1
The measured deviations from the true values .xi bi / are now considered as
average errors i , each defining an error distribution. The following results from the
definition of the standard deviation (see above):
We now obtain the minimization rule for the method of least squares:
X
n
!
.xi bi /2 D min (8.20)
iD1
All ei are combined into a vector Ee. If we use the amount of this vector for the
minimization criterion, the result for the minimization problem is as follows:
v v
u n u n
ˇ ˇ uX uX
ˇEeˇ D t ei D t .xi bi /2 D min
2 !
(8.21)
iD1 iD1
X
n X
n
!
) e2i D EeT Ee D .xi bi /2 D min
iD1 iD1
The sum of the error squares is therefore also the scalar product of the transposed
error vector with the same EeT Ee. With the requirement of fulfillment for all model
726 8 Monitoring
! E
Ef .Ex/ D 0 (8.22)
!
eET Ee D min (8.23)
From a mathematical point of view, the problem now lies in the minimum search
on a quadratic form in Rn and the derivation of improvements vE that lead to the
fulfillment of the model equations.
If we assume that the errors ei in all observations are equally probable and
stochastically independent of each other, we can use vE D Ee, requesting the
minimum of the improvements directly. However, the quality of the observations
usually varies from observation to observation. Some observations are accorded
more confidence and some are of lesser quality. We can investigate an observation
experimentally in advance, for instance, and characterize it with an empirically
determined variance s2i as a prediction value for i2 of the true size xi . If observations
with different variances exist, those with a smaller variance (the more trustworthy
examples) should be improved to a lesser extent than those with a larger variance,
which are not so well-founded and should therefore be more freely adjusted. In
addition, the observations are not always stochastically independent of each another.
Correlation exists in common sampling or common reference measurement; and
this correlation can also be taken into account in the choice of the improvements.
Assuming linear dependencies, these relationships can be expressed by a linear
transformation:
vE D A Ee (8.24)
!
A1 vE/T .A1 vE/ D vET .A1 /T A1 vE D min
!
vET S1
x vE D min
follows:
0 1
s1 ::: 0 0 0
B0 s2 : : : 0 0C
1B
B :
C
C
vE D B 0
aB 0 :: 0 0C C
eE:
@0 0 : : : sn1 0A
0 0 ::: 0 sn
Taking the correlation via the covariances si;j into consideration, the general valid
form of the empirical “covariance matrix” is
0 1
s21 s1;2 : : : s1;n1 s1;n
B s2;1 s22 : : : s2;n1 s2;n C
B C
B :: :: : : :: :: C
Sx D B
def
B : : : : : C C
(8.25)
@sn1;1 sn1;2 : : : s2
sn1;1 A
n1
sn;1 sn;2 : : : sn;n1 s2n
1 1
(8.28)
728 8 Monitoring
! E
Ef .Ex / D 0 (8.29)
!
vET S1
x vE D min (8.30)
The model or constraints (8.29) are in the form of algebraic equations, but the further
treatment of these is complicated in this form. This is why the auxiliary conditions
are first linearized as per Taylor series, assuming reasonable accuracy around the
observation point. The following then applies for the ith model equation:
E C @fi @fi
fi .Ex/ fi .b/ .x1 b1 / C C .xn bn /
@x1 Eb @xn Eb
Ef Ef .b/
E C Jx vE (8.31)
Jx D B
@ :: : : :: A
C (8.32)
@fl @fl
@x1
: : : @xn E
b
The system of equations consisting of Eqs. (8.29) and (8.30) can be solved with
the Lagrange multiplier rule (Bronstein et al. 2000). For this extreme value problem
with constraints:
!
vET S1
x vE D min (8.33)
Ef .b/ ! E
E C Jx vE D 0 (8.34)
the (scalar) Lagrange function (which we wish to minimize) with the Lagrangian
E is
multiplier
E0 .E ED!
v / D vET S1
x vE 2 .Ef .b/
E C Jx vE/ min (8.35)
With regard to the next calculation step, it is still useful to write the prefactor
2 before the bracket. The extreme value problem with constraints is thus reduced
8.5 Validating Measured Data 729
or, converted:
E
vE D Sx JTx (8.36)
ED
Ef .bE / C Jx Sx JTx ! E
0
or:
E D Jx Sx JT 1 Ef .bE /
(8.37)
x
Substitution back into Eq. (8.36) gives us the calculation rule for the vector of the
improvements of the measured values:
1
vE D Sx JTx Jx Sx JTx Ef .bE / (8.38)
Large-scale heat and power plants are redesigned and manufactured for each
new application. It is therefore not possible to make any statement regarding the
fulfillment of certain guaranteed technical properties based on a comparison of
identical versions (as is otherwise practiced in most cases). The determination of
guaranteed values such as efficiency, performance, and emissions must therefore
always be carried out by measuring the already-running plant—in other words,
through an “acceptance test.” The results of acceptance tests must therefore be
particularly reliable and should reflect the technical characteristics and conditions
as faithfully as possible.
The reliability of any measurement result can be increased by considering
multiple independent measurements of the relevant parameter. In this way, the
unknown deviations that arise through, e.g., joint instruments, joint sampling, the
use of common measurement methods, common processing errors, etc., are all
730 8 Monitoring
quantified and avoided where possible (DIN 1319-3 1996-05; DIN 1319-4 1996-
05).
Depending on the process involved, acceptance tests on quasi-stationary flow
processes are always subject to time fluctuations. The multiple acquisitions of
the measured quantity must therefore be carried out simultaneously with different
measuring devices, different device installations, and different measurement meth-
ods. In practice, however, this is hardly feasible because of the large number of
measurements that have to be acquired during acceptance tests. Information about
the uncertainty of the result of the acceptance test must thus be primarily limited
to plausible assumptions about the unknown systematic measurement deviations,
which are based, for example, on the information provided by the manufacturers of
the measurement instruments.
In the past, direct verification of the validity of these assumptions was not
possible. In order to at least enable the detection of gross errors, additional
measurement quantities were acquired, which exceed the quantities needed for the
particular evaluation. In the 1970s, the progressive use of IT in the evaluation of
acceptance tests made it possible to apply the Gaussian compensating calculation
(Sect. 8.5.1) to all the measurement data of an acceptance test (Streit 1975).
2001 saw the establishment of a general-purpose estimation method in computer-
friendly form with the final version of the VDI guideline 2048, “Uncertainties
of measurement during acceptance tests on energy-conversion and power plants.”
This method enables the evaluation of all measurement quantities resulting from an
acceptance test.
The VDI guideline 2048 covers the following issues:
• Planning and preparation of acceptance tests,
• Physical basics,
• Computational detection of the measurement uncertainties,
• Quality control and improvement of the measured values by means of compen-
sating calculation,
• Evaluation of the guarantee fulfillment,
• Measurement uncertainties in special measurements.
The vector of true values Ex (which fulfill all side conditions (constraints) in non-
E
contradictory manner) is calculated from the vector of observations b:
1
Ex D bE C vE D bE Sx JTx Jx Sx JTx Ef .bE / (8.39)
The vector vE is known as the vector of improvements (cf. also Eq. (8.38)). Sx is
the empirical covariance matrix of the measured quantities, Jx is the Jacobian matrix
8.5 Validating Measured Data 731
bi ˙ V95;i
V95;i is the interval where 95 % of all values occur. The range of V95;i is usually
given as an estimate based on empirical values, taking into account the measuring
devices and methods used, etc.
Under the condition of the Gaussian normal distribution, the following applies
for the distribution density:
1 1 b2i
'.bi / D q exp 2 (8.41)
2s2i 2 si
And from the distribution sum resulting from this density function
Z CV95;i
1 1 b2i !
q exp 2 dbi D 0:95 (8.42)
2s2i V95;i 2 si
we now obtain (with the aid of the error integral table (Bronstein et al. 2000)) the
relationship between the prediction value of the standard deviation and the 95 %
confidence interval:
q
jV95;i j D 1:96 s2i (8.43)
improvements Sv ).
ˇ ˇ
ˇ ˇ
ˇ v ˇ !
! ˇ i ˇ
vi V95;v;i ! ˇ q ˇ 1:96 (8.44)
ˇ s2 ˇ
ˇ v;i ˇ
s2v;i are the diagonal elements of the covariance matrix of the improvements (see
Eq. (8.40)). If the above criterion is violated, either the observation value bi or the
prediction value of the associated variance s2i should be regarded as being uncertain.
With the specification of the associated confidence interval, the most probable
measurement result (taking into consideration the known uncertainties of the
observations and all side conditions) is as follows:
q
xi ˙ V95;Nx;i D xi ˙ 1:96 s2xN ;i (8.45)
s2xN ;i are diagonal elements of the covariance matrix of the non-contradictory esti-
mated values (see Eq. (8.40)).
As already mentioned, minimizing the sum of the absolute values of the errors was
proposed by Laplace at roughly the same time as Gauss proposed minimizing the
sum of the (error) squares (L2 Norm).
Here the Iteratively Re-weighted Least Squares method (IRLS) can be used. As
per the IRLS method, the errors/improvements are first determined in accordance
with the L2 Norm; they are then weighted by the inverse of the square root of the
(error) squares and again iterated—this results in the minimization of the absolute
values of the errors/improvements (L1 Norm).
In this way, the good convergence of the Gaussian method (result of continuity)
is used from the start and we only go to the L1 Norm in the second step.
In Witkowski (2006) the measured values of a heat recovery steam generator were
validated (as per VDI 2048) by minimizing the sum of the (error) squares (L2
8.5 Validating Measured Data 733
Norm), taking into account the covariance matrix of the measured amounts. The
effects of measurement errors were also tested, by deliberately inserting errors into
individual measuring values.
In Apascaritei (2008) the IRLS method was also applied to the same calculations,
thereby comparing the L1 and L2 Norms.
As expected, the errors in the case of the L2 Norm are more intensively
distributed to other measurement points than in the case of the L1 Norm, because
the square of one single large error naturally exerts more influence on the overall
result than the absolute value does. This means that when using the L1 Norm,
the measuring point that has an abnormally high measurement error (and should
therefore be replaced or repaired) can be found with a high degree of probability
and without any additional measurements having to be made. This is shown in the
following Figs. 8.18 and 8.19.
In Fig. 8.18, large deviations are evinced by the L2 Norm at 5 measurement
points, but only at 2 measuring points by the L1 Norm. However, the greatest
deviations identified by both the L1 and the L2 Norm lie at the “correct” measuring
point.
In Fig. 8.19, the L2 Norm evinces again large deviations at 5 measurement points,
whereby the maximum deviation lies at the “correct” measuring point. The L1 Norm
delivers the error in almost “correct” value at the “correct” measuring point.
It would be interesting to ascertain whether or not an L1/2 Norm (i.e., the
minimization of the sum of the square roots of the errors’ absolute values) would
L2-Norm L1-Norm
tHDFDhiES
tZUEDhiES
tNDSPW
tNDDvoNDUE
tNDDhiNDUE
tRGaus
tDhiHDUE
tDvoHDUE
tVVhiNDECO
tHDSPW
tRGein
tWhiKDVW
tWvoKDVW
tZUEDvoZUE
tZUEDhiZUE
tWhiHDECO 1
tWvoHDECO3
Fig. 8.18 Validation result in the case of a deliberate error of 5 ı C in temperature, after the
injection of the high pressure superheater (tHDFDhiES)(Apascaritei 2008)
734 8 Monitoring
L2-Norm L1-Norm
tHDFDhiES
tZUEDhiES
tNDSPW
tNDDvoNDUE
tNDDhiNDUE
tRGaus
tDhiHDUE
tDvoHDUE
tVVhiNDECO
tHDSPW
tRGein
tWhiKDVW
tWvoKDVW
tZUEDvoZUE
tZUEDhiZUE
tWhiHDECO1
tWvoHDECO3
0 1 2 3 4 5 6 7 8 9 10
Fig. 8.19 Validation result in the case of a deliberate error of 10 ı C in the low-pressure
feedwater temperature (tNDSPW), (Apascaritei 2008)
indicate the “correct” measuring point with the “correct” errors even better than the
L1 Norm does.
Simulation programs are using the same balance and transport (heat and substances)
equations, geometrical and material/media data as necessary for validation. For, e.g.,
connecting submodels the so-called free variables are used, which are usually not
all measured.
The functional matrix F of a system, e.g., a power cycle, is represented by
the following Jacobian matrix (not identical with the Jacobian matrix given in
Eq. (8.32)). The number of linearized constraints is l (like the Jacobian matrix
in Eq. (8.32)), the number of measured values is n (like the Jacobian matrix in
Eq. (8.32)), but the functional matrix F in addition contains the free variables, their
8.5 Validating Measured Data 735
number being m:
2 3
@f1 @f1 @f1 @f1
6 @x @xn @y1
@ym 7
66
1
:: : : :: 7
7
F D Fx Fy D 6 ::: : : : ::
: : : : 7 (8.46)
6 7
4 @fl @fl @fl @fl 5
@x1 @xn @y1 @ym
Fx being identical with Jx (Eq. (8.32)). There exist three different algorithms to
solve the validation problem using the functional matrix F.
" # " #
S1 T
x Fx vE 0E
Fx 0 E D Ef .Ex/
(8.47)
Sx being the empirical covariance matrix and Fx being the linearized side condi-
tions (Jacobian matrix of the constraints) for the measured data. The improvements
vE are calculated according Eq. (8.38), added to the original measured values b, E
resulting in the true (validated) values Ex.
Ex D bE C vE
The free variables Ey are afterwards calculated with the true (validated) values Ex.
According to VDI (2048) the covariance matrix of the improved measured values
will be calculated as follows:
Sx D SxDb Sv D SxDb .Fx SxDb /T .Fx SxDb FTx /1 .Fx SxDb / (8.48)
But the factor ! cannot be chosen infinitely big, because of the numerical
representation in the computer, especially because in the next step of the calculation
the inverse value has to be calculated.
When choosing the factor ! one has to consider that between ! and the other
values of Sx there should exist a difference of some orders of magnitude. In
Witkowski (2006) ! 107 is proposed not to influence the calculation results.
If the factor ! is too small the free variables have an influence on the improvements
of the measured values, which is not negligible. Changing, e.g., from the unit km to
mm could have such an adverse effect, if ! is not properly adapted. The algorithm
leads to the following equation system for validation:
" #" # " #
S1 T
x;y Fx;y vE; w
E 0E
E D (8.49)
Fx;y 0 E
f .Ex; Ey/
Sx 0 Sx 0
Sx;y D (8.50)
0 !E 0 Sy
Ex D bE C vE (8.51)
Ey D yE0 C w
E (8.52)
In this system of equations Sx;y is the empirical covariance matrix of the measured
valuesEx and the free variable Ey. vE is the vector of the improvements of the measured
values and w E the vector of the improvements of the free variables.
According to Witkowski (2006) measured values and free values are treated
together. Therefore the covariance matrix of the measured values is
Sx D SxDb .Fx SxDb /T .Fx SxDb FTx C !Fy Sy FTy /1 .Fx SxDb / (8.53)
Z-Algorithm
The idea of the Z-algorithm is based on the fact, that during the validation
calculation only the inverse of the covariance matrix is used, and therefore it is not
necessary to use a very big value for the confidence interval of the free variables but
simply zero for the inverse values (Hauschke et al. 2013; Hauschke 2014; Zander
et al. 2013).
8.5 Validating Measured Data 737
The Z-matrix Z contains the inverse of the empirical covariance matrix of the
measured values S1 , the inverse of the covariance matrix of the free variables
S1
y D 0, and the linearized constraints of the measured values Fx and of the
free values Fy . The improvements are calculated by solving the following equation
system. In this equation system possible errors and mistakes can arise from certain
areas of the matrix and the right hand vector.
2 3
S1 0 FTx 2 3
„ƒ‚…
x 2 3 0E
6 7 vE
6 confidence intervals 7 6 7
6 0E
6 0 S1
y D0 FTy 7 6 7 6
74wE5D6
7
7 (8.54)
6 7 E 4 Ef .Ex; Ey/ 5
4 Fx Fy 0 5 „ ƒ‚ …
„ƒ‚… „ƒ‚… false measurements
modeling mistakes modeling mistakes
„ ƒ‚ …
Z-matrix
" #
Ex bE vE
D C (8.55)
Ey Ey0 wE
E
w.x/ D .Py Z1 PT / Ef .Ex; Ey/ (8.59)
T
@Ev @E
v
Sx D SxDb Sv D SxDb SxDb (8.60)
@Ex @Ex
Sx D SxDb .Px Z1 PT / .Fx SxDb FTx / .Px Z1 PT /T (8.61)
T
@wE @w E
Sy D SxDb (8.62)
@Ex @Ex
Sy D .Py Z1 PT / .Fx SxDb FTx / .Py Z1 PT /T (8.63)
738 8 Monitoring
Two examples will be shown in the following chapter. The first example is a simple
tube with two measured flow values and a free flow value between the measured flow
values. With this very simple example all steps of the Z-algorithm are demonstrated
in detail. As already mentioned the free value has not to be eliminated but is part
of the solution. The second more complex example is the water-steam cycle given
in the VDI (2048). The results of the Z-algorithm are compared with the results
provided in the VDI (2048).
Flow in a Tube
As first example flow measurements in a single tube are presented, see Fig. 8.20.
The measured values are 14 kg/s and 15 kg/s. The confidence interval are
k.mP 1 / D ˙1 kg/s and k.m
P 2 / D ˙1 kg/s. Between both measurements a correlation
of 24 % is assumed. The values are rounded. The covariance matrix Sx and the
inverse covariance matrix S1 x are calculated with the 95 % probability criterion
.
m1
.
m3
.
m2
14 + 1 kg/s 15 + 1 kg/s
Fig. 8.20 Example: flow in a tube with two measured values and one free value
8.5 Validating Measured Data 739
resulting in
2 2 3
k.mP 1/ P 1 / k.m P 2/
6 1:96
0:24 k.1:96
m
1:96 7
SxDb D 4 2 5
k.mP 1/ k.mP 2/ k.mP 2/
0:24 1:96 1:96 1:96
" 1:0 2 #
1:0 1:0
0:24 1:96 0:26 0:06
D 1:96 1:0 2 1:96 D (8.64)
0:24 1:0
1:0
1:96
1:96 1:96
0:06 0:26
1
0:26 0:06 4:08 0:98
S1 D D (8.65)
xDb
0:06 0:26 0:98 4:08
0 Dm
P1 m
P3 (8.66)
P2 m
0 Dm P3 (8.67)
The functional matrix is the Jacobian matrix of these two model equations
2 Fy
3
‚
Fx
…„ ƒ ‚ …„ ƒ
6 @.Eq. (8.66)/ @.Eq. (8.66)/ @.Eq. (8.66)/ 7 1 0 1
F D Fx Fy D 4 5 D (8.68)
@mP1 @mP2
@.Eq. (8.67)/ @.Eq. (8.67)/
@mP3
@.Eq. (8.67)/
0 1 1
@mP1 @mP2 @mP3
The improved covariance matrix (in this simple case only one value) of the free
variables is calculated according the following equations:
Sy D .Py Z1 PT / .Fx SxDb FTx / .Py Z1 PT /T (8.74)
2 3T 2 31 2 3
0 4:08 0:98 0 1 0 0 0
6 0 7 6 0:98 4:08 0 0 1 7 6 0 07
6 7 6 7 6 7
6 7 6 7 6 7
Py Z1 PT D 6 1 7 6 0 0 0 1 1 7 6 0 0 7 D 0:5 0:5
6 7 6 7 6 7
405 4 1 0 1 0 0 5 4 1 05
0 0 1 1 0 0 0 1
(8.75)
0:26 0:06 0:5
Sy D 0:5 0:5 D Œ0:16 (8.76)
0:06 0:26 0:5
P1 D m
m P2 D m
P 3 D 14:5 ˙ 0:78 in kg/s (8.79)
8.5 Validating Measured Data 741
The variances and the confidence intervals are reduced. The advantage of the
Z-algorithm compared to the elimination algorithm is that the free variables need
not to be eliminated, the simulation model can be used directly, and the free values
are part of the solution. The advantage of the Z-algorithm compared to the Epsilon
algorithm is that the free values do not influence the validation of the measured
values anyway, because ! ! 1 in the Z-algorithm.
The example of the VDI (2048) (see Fig. 8.21) was programmed in ENBIPRO and
solved using the Z-algorithm. In ENBIPRO a system of more than 750 equations
are used because many free variables do exist.
The comparison of the results of the ENBIPRO/Z-algorithm validation with the
results given in the VDI (2048) (results of the calculation with a system of equations
reduced by elimination) shows very good accordance; beside one difference in m PV
due to truncation at the third position after decimal point the result are the same, see
Table 8.2.
Final remarks:
Three algorithms have been presented, which allow the use of cycle simulation
programs for validation by deriving the system of equations for the validation from
the system of equations of the simulation:
0.2 mloss
Tap: Tap
0.2 mloss ECO: Economizer
m LS,1 m LS,2
RH HP: High pressure
RH IP: Intermediate pressure
LP: Low presseure
RH: Reheater
HP IP LP G
Boiler 1 Boiler 2 MC Main condensate
aC: Auxiliary condensate
feed: Feed water pump
mSeg LS: Live steam
loss: Losses
0.4 mloss Seg: Shaft sealing
Eco 3 0.2 mloss
mTap7
Eco 2
mTap6
Eco 1 Condenser
mTap5 M
m HP,aC
m feed,I m feed,II
M M
m loss m MC
Fig. 8.21 Power plant flow scheme according to VDI (2048) adapted by Westerloh (2012)
742 8 Monitoring
Table 8.2 Comparison of the results of the ENBIPRO/Z-algorithm validation with results given
in VDI 2048-1 (Westerloh 2012)
ENBIPRO VDI-2048-1 Difference in %
Variable True Improved True Improved True Improved
name measured confidence measured confidence measured confidence
value interval value interval value interval
P LS;1
m 44:696 1:611 44:696 1:611 0:0 0:0
P LS;2
m 44:123 1:611 44:123 1:611 0:0 0:0
P feed;I
m 44:643 0:425 44:643 0:425 0:0 0:0
P feed;II
m 44:386 0:424 44:386 0:424 0:0 0:0
P loss
m 0:5245 0:105 0:524 0:105 0:1 0:0
P MC
m 70:005 0:615 70:005 0:615 0:0 0:0
P Tap5
m 4:391 0:057 4:391 0:057 0:0 0:0
P Tap6
m 3:744 0:057 3:744 0:057 0:0 0:0
P Tap7
m 10:364 0:133 10:364 0:133 0:0 0:0
P HP;aC
m 18:499 0:137 18:499 0:137 0:0 0:0
P Seg
m 2:092 0:272 2:092 0:272 0:0 0:0
• Elimination algorithm,
• Epsilon algorithm, and
• Z-algorithm.
There do exist also other possibilities, the Z-algorithm is mathematically exact,
numerically efficient, and generally applicable; it is the most elegant one and
probably the fastest.
In the case that the F matrix has not the full order and cannot be inverted (can
happen, if a linearly dependent equation is contained) the under determined system
can be made solvable by a singular value decomposition. The runtime can be further
reduced, e.g., by using the LU-decomposition for calculating inverse matrices. In
addition it was found that
2
k.xi /
.Sx /ii D .Z1 /ii D (8.80)
1:96
Modern turbomachines have increasingly smaller gaps between the rotor and the
housing; this minimizes leakage loss, thereby achieving maximum efficiency. On the
other hand, as a result of these small gap, long waiting times after a shutdown and
before a restart have to be observed. This may not be allowed to take place. Usually
startup, shutdown, and load changes should be carried out as quickly as possible, but
without unacceptable lifetime consumption. Damage caused by excessive rubbing
or even friction between the rotor and the housing must be absolutely prevented.
In this context, monitoring means the monitoring of stresses and strains due to
pressure, temperatures, or temperature differences and in the case of the rotor also
centrifugal forces and finally the monitoring of lifetime of the housing and the rotor.
During diagnosis, the information collected is analyzed to identify possible short-
term (e.g., rubbing of the rotor on the housing) or long-term damage (e.g., fatigue
fractures) in good time and to prevent it from happening by means of regulation and
control interventions.
Monitoring and diagnostic systems that measure vibrations in turbomachinery
have been in use for a long time now (see Sect. 8.1). Lifetime monitoring of thick-
walled components has also been state of the art in boilers for quite some time (see
Sect. 8.2).
In contrast, the gap size and the lifetime consumption of turbomachines—and
especially feedwater pumps—are only monitored during commissioning, if at all.
This is due to the fact that the gap size is such that there is hardly access to perform
a measurement procedure and the complexity of the geometry also makes stress
analysis and lifetime calculation very difficult.
The thesis of Ahmed (2010) presents highly detailed CFD flow and FEM solid
body simulations for a feedwater pump. For continuous monitoring, however,
these complex and extensive calculations are unsuitable, because even on very fast
computers they are currently not realtime capable. Figure 8.22 shows an overview
of the calculations performed.
This lack of realtime capability is the reason why a very simplified model
was used in Ahmed (2010) in order to estimate the temperature distributions very
Fig. 8.22 Coupled FVM-FEM simulation of the hydraulic and thermo-mechanical behavior of a
feedwater pump (Ahmed et al. 2010)
744 8 Monitoring
200
Temperature [°C]
150
100
WADAR
ANSYS
Analytical solution
50
0 0,5 1 1,5 1 2,5
4
Time [s] x 10
Fig. 8.23 Interior housing wall temperature with a temperature step change in the contacting fluid:
Comparison of FEM calculation (ANSYS) with the calculation of the specific numerical simulation
program WADAR, as well as with an analytical solution (Ahmed 2010)
200
180
160
Temperature [°C]
140
120
100
80
60
WADAR
40 ANSYS
Analytical solution
20
0 0,5 1 1,5 1 2,5
4
Time [s] x 10
Fig. 8.24 Integral housing wall average temperature with a temperature step change of the
contacting fluid (Ahmed 2010)
accurately. Figure 8.23 shows a comparison between the pump housing’s inner
wall temperature, calculated with (i) an FEM simulation, (ii) a special numerical
program, and (iii) an analytical solution—a temperature shift in the contacting fluid
was used for all three calculations.
The degree of accuracy in matching is acceptable. The difference between
this inner wall temperature and the integral average temperature (see Fig. 8.24) is
proportional to the thermal stress.
The foundation is thus laid for the following five criteria in the monitoring of a
turbomachine or feedwater pump (using just a few selected measuring points):
8.6 The Tasks of a Monitoring, Protection, and Control System for. . . 745
WADAR
Time-varying temperature
Wall temperature difference
distribution
LIMPRO
Fig. 8.25 Software combination of wall temperature difference and lifetime consumption calcu-
lation (Ahmed 2010)
Fig. 8.26 Criterion 3: Temperature difference between the housing and rotor (Ahmed 2010)
746 8 Monitoring
Fig. 8.27 Asymmetrical temperature distribution in the rotor and housing (Ahmed 2010).
(a) Criterion 4. (b) Criterion 5
Monitoring of Monitoring of
lifetime consumption the gaps
Measured
temperatures of
the outer pump
Temperature Housing T N Thermal and
surface
distribution in the pump Rotor T N mechanical Gaps between the
Power plant system
Measured
operating pressure Permissible stresses
Permissible
Free stresses
size of gaps
(TRD and EN standards)
Measured
rotational speed
Fig. 8.28 System for turbomachine monitoring, diagnostics, protection, and control (Ahmed and
Leithner 2010)
model of a hollow cylinder (Ahmed 2010). The state space representation of this
model is given by the following two equations:
dTN
D C TN C D Tf (8.81)
d
TEout D F TN C G Tf (8.82)
Here TN are the temperatures of the N-layers as a state vector, Tf is the fluid
temperature as an input variable, TEout is the output vector of the temperatures we
require, C is the state matrix, D is the input matrix, F is the output matrix or vector,
and G is the feed-through matrix or vector.
Figure 8.29 shows the behavior of the feedwater pump in block K of the Nieder-
außem (RWE) power plant—here the temperature Tfc;sd (allowance of temperature
during shutdown for 2000 load cycles) and therefore also the temperature Tfr;compl;sd
8.6 The Tasks of a Monitoring, Protection, and Control System for. . . 747
100
Permissible load cycles = 2000
0 0
Tfc
-100 Tfc, start
Tfc,sd
-200 -5
100 200 300 400 500 600 100 200 300 400 500 600
100
4
0
2
-100
-200 0
100 200 300 400 500 600 100 200 300 400 500 600
Time [min] Time [min]
Tfr, compl [°C] x 10
9 cas,compl [Pa]
1
cas,fc,start
100 cas,fc,sd
0,5 cas,compl
0 0
400
150
Current gap size
300
Thermal expansion
100
200 Expansion due to
Tcas,inl rotation
50 100
Tcas
0 0
100 200 300 400 500 600 100 200 300 400 500 600
Fig. 8.29 Feedwater pump shutdown in Block K of the RWE Niederaußem brown coal-fired
power plan (Ahmed et al. 2010)
cross the zero line. This means that the lifetime consumption was greater than that
which is permissible for 2000 load cycles.
Chapter 9
Checking Results, Accuracy, and Assessment
In the final chapter of this book, we have put together a few suggestions and thoughts
regarding the issue of checking results, accuracy, and assessment.
As the interested reader has no doubt ascertained, besides the self-written
software, there exist a large number of commercial and freeware software programs
for the calculation of the widest range of tasks in energy and process engineering.
In most cases users will find commercial or freeware software that can perform the
tasks suggested below (if the users do not write UDFs themselves). Nevertheless,
the pure program user must still be aware of the models to use (e.g., radiation or
turbulence models), in order to make the correct model selection for the task at
hand [see also (Hölling and Herwig 2004)]. And pure program users cannot be
spared questions like defining the abort criterion parameter, etc.—there are some
things which they have to do themselves, without the help of programs.
The following list makes no claim to completeness, but it should provide the
reader with some assistance:
• Phenomena which are not (or no longer) included in the simplified balance
equations—these of course cannot be calculated. If, for example, the momentum
conservation law has been simplified, fast pressure oscillations can either not be
calculated correctly or not at all. Before using a program, it is therefore necessary
to always consider whether the underlying models are sufficient to perform
the desired simulations—and if necessary, the models must be supplemented
accordingly. Evidence that the models are too simplistic is occasionally shown by
the fact that physical characteristics—which could have an impact on the result—
are not even required as input variables in the calculation. Caution should also
be exercised with calculations in the supersonic range, pressure surges, and with
unsuitable turbulence models.
• Overall balances should also always be made throughout the entire simulated
area, or over the entire boiler area or entire power plant. In the steady-state case,
for example, the inflowing and outflowing mass and energy should be equal;
in atom balances, just as many atoms of, e.g., carbon C must flow into the
computational domain as out of it, even if, e.g., one part flows out as CO and
another as CO2 ; in energy balances, of course, heat transfers to the walls are
also to be taken into account. Even with transient processes, integrated total
balances can be made over extended periods, taking into account the change
in storage contents, which lose their importance after a correspondingly long
time (e.g., high multiple of fill time)—and such balances can be very revealing.
In combustion processes, the adiabatic combustion temperature should not be
exceeded (even locally), unless due to special effects, like the drying of the fuel.
• A solution can be considered as converged if the sum of the absolute values of
the residuals for the different variables, which was made dimensionless with a
reasonable reference parameter, e.g., total mass flow, total energy expenditure,
etc., has fallen below a certain barrier, which of course must lie considerably
above the accuracy level of the number representation.
Pn ˇ ˇ
ˇ ˇ
iD1 R"i
P < " (9.1)
mP inl
1 2 n-1 n
of 38 mm and a wall thickness of 3 mm. For the flow calculation, the tube was
divided into n control volumes. The heat flow Q P to the tube wall is given by a
value of 50 kW and the internal heat transfer coefficient is also given with a value
of ˛in D 5000 W/m2 K. Both values are constant during the whole simulation.
As an initial condition, a fluid pressure of p D 7 bar and an inlet enthalpy of
hinl D 671 kJ/kg exists at the time D 0 s at the tube inlet (control volume 1).
A pressure of p D 6 bar exists at the tube outlet (computational cell n). Based
on the pressure distribution of the fluid in the tube and the heating, an associated
velocity field will form at the time D 0 s. The pressure on both tube ends is
supposed to be linearly changed over a period of D 100 s. Upon completion
of the simulation, a pressure of p D 6 bar will exist in control volume 1 and
a pressure of p D 7 bar in the computational cell n. The spec. enthalpy of the
fluid entering the tube is supposed to have a constant value of hinl D 670 kJ/kg,
independent of the current direction of flow.
Figure 9.2 shows the curves of the pressure boundary conditions at both tube
ends, as well as the curve of the calculated mass flow over time. We can see that
a symmetrical result exists for the calculation. The mass flow decreases until the
time that identical pressures occur at both tube ends (6.5 bar), only to increase
again and return to its original value, but this time with a negative algebraic sign.
The negative sign indicates a reversal of flow in the tube, since it was assumed for
the simulation that a positive flow rate exists when the fluid flows in the direction
of the rising cell numbers.
The results for the velocity and the state variables for the fluid must of course
also change symmetrically around the point in time of the mass flow’s passage
through zero (which is the time at which a pressure of p D 6:5 bar is present in
both tube ends). Here reference is made to Fig. 9.3 for the velocity and Figs. 9.4
and 9.5 for the spec. enthalpy and density of the working fluid, which are shown
for selected points in the tube.
Mass flow [kg/s], Pressure [bar]
6
p p Pressure
n 1
4
-2
Mass flow
1 2 n-1 n
-4
0 20 40 60 80 100
Time [s]
Fig. 9.2 Curves of the pressure boundary condition and of the calculated mass flow
752 9 Checking Results, Accuracy, and Assessment
30
wn-1
Velocity [m/s] 20
10
-10
-20 w2
1 2 n-1 n
-30
0 20 40 60 80 100
Time [s]
3000
Spec. enthalpy [kJ/kg]
1 2 n-1 n
2000
1000
h2 hn-1
0
0 20 40 60 80 100
Time [s]
Fig. 9.4 Temporal development of the spec. enthalpy at selected points in the tube
As the fluid velocity decreases, the spec. enthalpy increases and the density
decreases, due to the decreasing cooling of the tube. The abrupt change in the
density and in the spec. enthalpy in the control volumes 2 and n 1 is the result
of the flow direction change (the spec. enthalpy at the entry of the fluid into the
tube is assumed to be constant and independent of the flow direction).
• The stability of the solution can be verified by means of grid reduction, performed
at least twice. The individual solutions should approach a value in aperiodic
manner.
• No greater degree of numerical accuracy should be required, e.g., in comparison
with measurements, than the model itself allows.
• The simulation results obtained should be subjected to a critical assessment and
checked for their physical plausibility.
9 Checking Results, Accuracy, and Assessment 753
1000
1 2 n-1 n
600
400
200
0
0 20 40 60 80 100
Time [s]
Fig. 9.5 Temporal development of the density at selected points in the tube
0D 0-dimensional
1D 1-dimensional
2D 2-dimensional
3D 3-dimensional
ABB Asea Brown Boveri
ACM Modeling language
ADI Alternating Direction Implicit
AIOLOS Simulation program for combustion chamber
ALE Arbitrary Lagrangian–Eulerian Method
ALSTOM Company name
ANDI/KEDI Plant and boiler-diagnoses program
ANSYS Commercial finite-element-program
ANSYS-CFX Commercial CFD-program
ANSYS FLUENT Commercial CFD-program
APROS Commercial transient simulation program for power plants
ARDIS Fittings diagnoses system
ART Algebraic reconstruction technique
ASCII American Standard Code for Information Interchange
ASPEN Advanced System for Process Engineering (Process simula-
tion software)
ASPEN PLUS Commercial simulation program for chemical and process
technology (steady state)
ASS Fitting service system (Armaturen Service System)
BANFF Simulation program for combustion chamber
BASIC Programming language
BAUBAP Component-stress-evaluation-program
BDE Production data acquisition (BetriebsDatenErfassung)
BDF Backward Differentiation Formulae
FVM Finite-Volume-Method
Gate Cycle Commercial steady state simulation program for power
plants
GaVo Preheater for gas
GE General Electric
Geo-CALC Phase diagram generator for the geochemistry
Gew% Weight percent
GLACIER Simulation program for combustion chamber
gPROMS Process modeling environment
GT Pro-GT Steady state design program for combined cycle power
MASTER plants
GuD Gas and Steam Turbine Plant
GUI Graphical User Interface
HAZOP HAZard and OPerability, safety assessment method devel-
oped by ICI-Imperial Chemical Industries
HDUE High pressure super heater
HF High-frequency
Hitachi Company name
HP High pressure
IAPS International Association for the Properties of Steam
IAPWS International Association for the Properties of Water and
Steam
IET Institute for Energy Systems and Thermodynamics,
TU-Wien
IFC International Formulation Committee (for water and steam
properties)
ILDM Intrinsic Low Dimensional Model, reactions with reduced
order
InES Institute of Energy and Process Systems Engineering
(former Institute for Heat and Fuel Technologies),
TU-Braunschweig
IP Intermediate pressure
IPSEpro Commercial steady state simulation program for power
plants
IPTC Institute for physical and theoretical chemistry,
TU-Braunschweig
IRLS Iteratively Re-weighted Least Squares
ISO International Standardization Organization
IStec Manufacturer of monitoring software
JMAK Model for nucleation and growth according to Johnson–
Mehl–Avrami–Kolmogorov
KAS Structure-Born-Sound Analysis System (German: Körper-
schall AnalyseSystem)
KETEK Company name
Glossary 759
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D heat conduction, 57
step response, 654 Neumann, 197
D model, 643 Bounding boxes method, 265
Buoyancy force, 126
Burn-out of volatiles, 355
Accidents, 624
Acoustic instability, 594
Adams-Bashforth method, 314
Cauchy existence theorem, 302
Adhesive force, 250, 251
Central differences, 183, 192
Analysis, 696
Centrifugal speed controller, 623
Anisotropic scattering, 86
CFD-model, 547
Approximation, 180
drum, 540, 563, 608, 669
finite difference, 173, 565
flame- and radiation zone model, 329
Simpson’s rule, 180
header, 556
trapezoidal rule, 180
spray attemperator, 570
ART-Bézier deconvolution technique, 719
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Chemical reactions
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reaction energy, 91
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reaction enthalpy, 91
reaction kinetic, 91
reaction rate, 92
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Basset force, 127 extended, 294
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Boiling crisis, 112, 119, 526, 530 Coefficient of restitution, 248
Boiling instability, 592 impact parameter, 244
Boundary condition, 57, 175, 196 Cohesive force, 251
Cauchy, 175, 197 Collision detection
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Radiation, 79
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Discrete Ordinates method, 88 Search grid method, 234, 263
discrete transfer method, 83 Separator, 525
emissivity, 333 cyclone, 378, 427, 525, 607
flame- and radiation zone model, 329 Water separator, 607
form factor, 337 Shear moduli, 243
gas radiation, 335 Shell boiler, 523
heat transfer, 336 SIMPLE algorithm, 202
layer thickness, 332, 335 SIMPLEC algorithm, 206
Monte Carlo method, 83 SIMPLER algorithm, 207, 557, 570, 685
P-1 radiation model, 85 Simpson’s rule, 180
anisotropic scattering, 86 Simulation, 2
boundary condition, 86 firing, 321
radiative transfer equation, 80 gas flow, 321
solving, 81 stationary, 603
Rosseland radiation model, 87 steam flow, 523
boundary condition, 88 transient, 603
814 Index