SIMONE (Equations and Methods)

SIMONE
Equations and
Methods
ver. 5
rel. November 2002
SIMONE Research Group s.r.o. & LIWACOM Informationstechnik GmbH
SIMONE Equations and methods
This issue has a special position within the SIMONE documentation library. While the
purpose of all the other issues is to support the user by information practical for real use, this
text offers the information about basic equations which the SIMONE system is based on:
while all other is-sues treat the fruits of the SIMONE tree shown bellow, this issue is
dedicated to its roots.
It is definitely out of the possibilities of this material to describe the trunk of the tree the
theory behind SIMONE which is considerably complicated and abstract. SIMONE is based
on several original methods tailor-made for the pipeline networks. The main are the
integration method and the method for sophisticated exploitation of the sparseness of the
matrix.
Those who are interested only to know how it works but not why it works so well are
recommended to ignore this issue and to turn attention only to other sheets of the SIMONE
documentation library.
Logic
e
Mo m
ntum
Automatic
Prefrencial
Optimum
Optimiza- Financial
Design
tion
Optimization
ua
Eq
tion
He
at
Config.
Optimization
Set-Point
Optimization
d
ho
.
et
M
eth
nM
tion
gra ositio eth.
p
Inte
M
com tion
De imiza
t
Op
Error
Identific. Leak
State
Detection Reconstruction
Results
Monitoring
llan
ce
Mixing Compressor
Stations Stations
Topo
Visualization
Ba
Quality
Heat
Tracking
Dynamics
M
as
Network
Adjustment
State to State
Optimization
S ta
te
Bal
lanc
e
Equat
ion
SIMONE Research Group, s.r.o.
SIMONE Equations and Methods
Contents
1. Units ....................................................................................................................................... 7
1.1.
Gauge pressure for low-pressure networks ................................................................ 7
2. Flow equations ....................................................................................................................... 8

2.1.
Continuity equation .................................................................................................... 8
2.2.
Momentum equation .................................................................................................. 8
2.3.
Friction factor............................................................................................................. 9
2.3.1.
Hofer formula..................................................................................................... 9
2.3.2.
Nikuradze formula............................................................................................ 10
2.3.3.
PMT-1025 formula........................................................................................... 10
2.3.4.
Pipe efficiency.................................................................................................. 10
2.3.5.
Comparison of Hofer and Nikuradze formulae................................................ 10
3. Equation of state for real gas................................................................................................ 13

3.1.
AGA (American Gas Association)........................................................................... 14
3.2.
Papay formula .......................................................................................................... 15
3.3.
Redlich-Kwong equation.......................................................................................... 15
3.4.
BWR equation .......................................................................................................... 16
3.4.1.
Simple fluid approach ...................................................................................... 16
3.4.2.
Full mixing rules .............................................................................................. 17
3.5.
AGA8 DC92 equation.............................................................................................. 18
3.6.
Thermodynamic properties of real gas..................................................................... 18
3.6.1.
Specific heat ..................................................................................................... 18
3.6.2.
Isentropic exponent .......................................................................................... 19
3.6.3.
Joule-Thomson coefficient............................................................................... 20
3.7.
Calculation of gas properties using gas composition ............................................... 21
LIWACOM Informationstechnik GmbH
3.7.1.
Calculation gas relative density and volumetric heating value using gas
composition ...................................................................................................................... 21
3.7.2.
3.8.
Conversion of molar to volumetric fractions and vice versa ........................... 23
Gas viscosity ............................................................................................................ 23
3.8.1.
Equation Lee64 ................................................................................................ 24
3.8.2.
Equation Lee66 ................................................................................................ 24
4. Quality Tracking .................................................................................................................. 25

4.1.
Solution procedure ................................................................................................... 25
4.2.
Quality parameters ................................................................................................... 26
4.3.
Mixing rules ............................................................................................................. 26
5. Heat Dynamics ..................................................................................................................... 29

5.1.
Differential Equations .............................................................................................. 29
5.2.
Heat Transfer Coefficient in SIMONE .................................................................... 31
5.3.
Suppressing Joule-Thomson effect for pipes ........................................................... 33
6. Compressor Stations............................................................................................................. 34
6.1.
Basic thermodynamics relations............................................................................... 34
6.1.1.
Pressure ratio .................................................................................................... 34
6.1.2.
Adiabatic head.................................................................................................. 34
6.1.3.
Adiabatic efficiency ......................................................................................... 34
6.1.4.
Shaft power ...................................................................................................... 34
6.1.5.
Discharge temperature...................................................................................... 35
6.1.6.
Isentropic exponent .......................................................................................... 36
6.1.7.
Volumetric flow rate ........................................................................................ 37
6.2.
Centrifugal compressor ............................................................................................ 37
6.3.
Reciprocating compressor ........................................................................................ 38
6.4.
Gas turbine ............................................................................................................... 39
6.5.
Gas engine ................................................................................................................ 39
6.6.
Electro drive ............................................................................................................. 40
6.7.
Steam drive (combined cycle).................................................................................. 41
6.8.
Gas cooler................................................................................................................. 41
6.9.
Local pressure loss ................................................................................................... 42
7. Controlled valves.................................................................................................................. 43
7.1.
Preheating power...................................................................................................... 43
7.2.
Valves with characteristic ........................................................................................ 43
7.2.1.
Characteristic A (Mokveld).............................................................................. 44
7.2.2.
Characteristic B (Argus)................................................................................... 45
7.3.
Local pressure loss ................................................................................................... 45
8. Resistor................................................................................................................................. 47
9. Solution methods.................................................................................................................. 48
10. State reconstruction ............................................................................................................ 50
10.1.
State reconstruction in SIMONE.......................................................................... 51
10.2.
Outlying Measured Data ...................................................................................... 52
10.3.
State Reconstruction Parameters.......................................................................... 52
10.4.
Tools for Scanning State Reconstruction ............................................................. 53
11. Steady-State Optimization.................................................................................................. 55

11.1.
Objective Function ............................................................................................... 55
11.2.
Constraints............................................................................................................ 55
11.3.
SIMONE Method of Steady-State Optimization ................................................. 55
12. Hydrate formation risk analysis ......................................................................................... 57

12.1.
Equilibrium condition .......................................................................................... 57
12.2.
Water dew point ................................................................................................... 58
6
12.2.1.
12.3.
Bukacek aprroximation .................................................................................... 58

Hydrate equilibrium ............................................................................................. 59
12.3.1.
Motiee approximation ...................................................................................... 59
12.3.2.
Carson-Katz method......................................................................................... 60
12.3.3.
Ponomarev approximation ............................................................................... 60
12.3.4.
Remarks on accuracy and choice of models .................................................... 61
12.4.
Effect of inhibitors ............................................................................................... 63
12.5.
Risk indicators...................................................................................................... 64
1. Units
1.1.
Gauge pressure for low-pressure networks
For low-pressure networks the local pressure is expressed in terms of overpressure in the
order of up to 5 kPa. The effect of lower gas density with respect to air density (i.e. lift force)
therefore leads to non-negligible changes of local overpressure with elevation.
SIMONE calculates all pressures as absolute ones. For correct simulation of low-pressure
systems the local air pressure depending on node elevation is used for conversion between
absolute and gauge value of pressure. This is done by selection of kPah pressure unit. This
unit can be used both for value visualization and for input of pressure conditions or set points.
The conversion is based on the following equation
p l = p p air (h )
Here
pl
p
p air (h )
h
Local overpressure
Absolute gas pressure
Local air pressure (absolute) depending on elevation
Elevation
[kPah]
[kPa]
[kPa]
[m]
The elevation change of air pressure is derived form the barometric equation using the
definition of International Standard Atmosphere:
gh
p air (h ) = p 0 exp
Rair T0
p 0 = 101.325 kPa is air pressure at sea level

t 0 = 15 oC is air temperature at sea level (used for the barometric equation)
T0 = t 0 + 273.15 K
Rair = 286.89 J.kg-1.K-1 is specific gas constant of air
g = 9.80665 m.s-2 is gravity acceleration
2. Flow equations
Simulation of dynamic processes running with gas transport and distribution is based on the
non-linear partial differential equations describing the dynamics continuity equation and
momentum equation.
For a more sophisticated and detailed description of the heat dynamic processes running with
the gas flow, another partial differential equation must be linked to those mentioned above
see sections 4 and 5.
2.1.
Continuity equation
+S
=0
t
x
Here
m
S
Mass flow rate

Pipe cross section
Gas density
Lengths coordinate
Time
x
t
2.2.
[kg.s-1]
[m2]
[kg.m-3]
[m]
[s]
Momentum equation
1 m
dh
P
2w
w2
+
+ g
+ fR = 0
x x
S t
dx
t
Here
p
g
fR
h
S
m
w
x
t
Pressure
Gravity acceleration
Gas density
Pressure loss due to friction per unit of pipe length
Geodetic height
Pipe cross section
Mass flow rate
Flow velocity
Lengths coordinate
Time
[Pa]
[m.s-2]
[kg.m-3]
[Pa.m-1]
[m]
[m2]
[kg.s-1]
[m.s-1]
[m]
[s]
The unit hydraulic resistance in a pipeline with a circular cross section is described by DarcyWeisbach equation
fR =
| w| w
2D
Here
Friction factor
Flow velocity
Gas density
Pipe internal diameter
2.3.
[1]
[m.s-1]
[kg.m-3]
[m]
Friction factor
SIMONE is equipped with several formulae for the friction factor (being selected using the
LAMBDA scenario parameter):
Hofer formula (default)

Nikuradze formula
PMT-1025 formula (Gazprom)
Any other formula can be built into the system on users request.
2.3.1. Hofer formula

Hofer formula is an explicit approximation of the general Colebrook-White formula.
4.518 Re
k
2 log
log +

7 3.71D
Re
Here
k
D
Re
Pipe equivalent roughness [m]

[m]
Reynolds number
[1]
Reynolds number is defined
Re = w
D
4 m
=
v D
Here
D
w

Flow velocity
Gas kinematical viscosity
Mass flow rate
Gas dynamic viscosity
[m]
[m.s-1]
[m2 s-1]
[kg.s-1]
[kg.m-1.s-1]
The value of dynamic viscosity for natural gas is approximately 10-5 kg.m-1.s-1.
10
2.3.2. Nikuradze formula

Nikuradze formula, valid for high Reynolds numbers, has the form
D
2 log + 1.138
k
It is easy to see that as Re + the Hofer formula is equal to Nikuradze.
2.3.3. PMT-1025 formula

158 2k
+
Re D
0 .2
= 0.067
Here the pipe equivalent roughness is taken constant
k = 0.03 mm
2.3.4. Pipe efficiency

The pipe efficiency pipe is usually introduced as correction factor to 1
in the momentum
or Darcy-Weisbach equations, i.e. the friction term becomes
fR =
| w| w
2
2D
pipe
There is simple and straightforward link between flow rate and pipe efficiency for steady
flow: If one assumes the pipe efficiency 0.99 instead of 1.00, then the flow rate for constant
pressure drop is also reduced to 0.99 of its original value.
The pipe efficiency can be altered by setting CORLAM scenario parameter for subsystem or
individual pipe element (the default value is 1).
2.3.5. Comparison of Hofer and Nikuradze formulae

The following comparison of both formulas is presented to illustrate the differences between
them and their advantages and shortcomings.
11
In the fist picture, the line is calculated by Hofer formula and the last point is calculated by
Nikuradze formula (case Re + ):
Hofer - Nikuradze
0.05
D/k=60
0.04
120
250
0.03
500
1000
0.02
2500
5000
0.01
10000
100000
0
1.00E+06
1.00E+07
1.00E+08
1.00E+09
Re
Percentage differences between Hofer and Nikuradze formulae are depicted in the next figure:
Differences in , Hofer / Nikuradze

10
9
8
7
D/k=100000
10000
5000
2500
1000
500
1
0
1.00E+06
1.00E+07
1.00E+08
Re
1.00E+09
12
To get rough figures about flow rate and Reynolds number see the following graph (drawn for
natural gas of normal density 0.73 kg/m3, i.e., relative density 0.565):
Q[1000m3/h]
Reynolds number / flow rate
100000
10000
D=1400 mm
1200 mm
1000
900 mm
500 mm
300 mm
100
10
1.00E+06
1.00E+07
1.00E+08
1.00E+09
Re
For D=1000 mm, k=0.01 mm, and usual load of about 106 m3/h results Re=2.4107 and
therefore the non-negligible difference between Hofer and Nikuradze can be seen!
13
3. Equation of state for real gas

The equation of state for real gas is usually written in the form:
p = RTz
Here
R
T
z
Pressure
Gas density
Gas constant
Absolute temperature
Compressibility factor
[Pa]
[kg.m-3]
[J.kg-1.K-1]
[K]
[1]
The gas constant is related to molar weight or relative density (specific gravity) of gas
~
R
R=
M
r=
z air ,0 Rair z air , 0 M

0
=
=
air , 0
z0 R
z 0 M air
Here
~
R
M
r
z
Subscript 0
Subscript air
Universal gas constant

Molar weight
Gas relative density
Density
Stands for standard condition (101.325 kPa and 0, 15 or 20C)
Stands for air
[J.kmol-1.K-1]
[kg.kmol-1]
[1]
[kg.m-3]
[1]
The non-ideal behavior of the gas is expressed by the compressibility coefficient z . The
compressibility coefficient is function of pressure, temperature and composition of gas. The
following choices are available in SIMONE:
2-parametric equations of state:

z = z ( p r , Tr )
Here
p
pc
T
Tr =
Tc
pr =
Dimensionless reduced pressure
[1]
Dimensionless reduced temperature
[1]
14
N
p c = x i p c ,i
Pseudo critical pressure of gas mixture
Tc = xi Tc ,i
Pseudo critical temperature of gas mixture [K]
x1 K x N
p c ,i
Molar fractions of gas components
[1]
Critical pressure of component i
[Pa]
Tc ,i
Critical pressure of component i
[K]
[Pa]
i =1
N
i =1
3-parametric equations of state:

z = z ( p r , Tr , )
Here
N
= xi i
Acentric factor of gas mixture
[1]
Acentric factor of component i
[1]
i =1
General equation of state:
z = z ( p, T , x1 K x N )
More complex mixing rules are used than the above mentioned.
The following equations of state are currently available in SIMONE (being selected by the
ZET scenario parameter):
AGA formula
Papay formula (default)
Redlich-Kwong equation
BWR in simplified form (Fasold et al.)
BWR
AGA8 DC92 (ISO 12213-2)
Other equations of state can be implemented on users demand.
3.1.
AGA (American Gas Association)
z = 1 + 0.257 p r 0.533
pr
Tr
For natural gases, this relationship is adequate for pressures up to 70 bars.
3.2.
15
Papay formula
z = 1 3.52 p r exp( 2.260Tr ) + 0.274 p r2 exp( 1.878Tr )

For natural gases, this relationship is adequate for pressures up to 150 bars.
3.3.
Redlich-Kwong equation
Redlich-Kowng equation of state is usually written in the following form

~
RT
a
p= ~
~ ~
V b
T V (V + b)
Here
p
T
~
R
~
V
~
R 2Tc2.5
a = a
pc
~
R Tc
b = b
pc
1
a =
1/ 3
9(2 1)
a =
Pressure
Temperature
Molar volume of gas
[Pa]
[K]
[J.mol-1.K-1]
[m3.mol-1]
21 / 3 1
3
Stands for pseudo critical values of gas mixture
For pure gases, Redlich-Kwong equation is the most precise 2-constant equation of state.
Redich-Kwong equation is currently used in simplified form with the simple definition of
pseudo critical pressure and temperature:
N
p c = x i p c ,i
i =1
Tc = xi Tc ,i
i =1
In such a case, Redlich-Kwong equation is used as 2-parametric equation of the

form z = z ( p r , Tr ) .
The precise more complex mixing rules or other modifications of Redlich-Kwong equation
can be implemented on users demand.
16
3.4.
BWR equation
Benedict-Webb-Rubin equation of state is usually written in the following form (and

traditional physical units!)
C
c~ 3
~
~
~
p = R T~ + B0 R T A0 0 ~ 2 bR T a ~ 3 + a~ 6 + 2 1 + ~ 2 exp ~ 2
T
T
) (
Here
p
T
~
R
~
A0 , B0 , C 0 , a , b , c , ,
Pressure
Temperature
Molar density of gas
BWR equation constants (traditional units)
[atm]
[K]
[atm.dm3 mol-1.K-1]
[mol.dm-3]
3.4.1. Simple fluid approach

Following Fasold et al., the constants for BWR equation can for natural gases be linked to
three parameters of the gas mixture:
~
Tc2 R 2
pc
~
Tc R
B0 = B0
pc
~
Tc4 R 2
C 0 = C 0
pc
~
T 3R 3
a = a c 2
pc
2 ~2
T R
b = b c 2
pc
~
Tc5 R 3
c = c 2
pc
~
Tc3 R 3
= 3
pc
2 ~2
T R
= c 2
pc
A0 = A0
A0 = 0.06000000 c + 0.6900000
B0 = 0.00797872 c + 0.0781383
C 0 = 0.02000000 c + 0.0340000
a = 0.04083330 c 0.2128330
a = 0.01700000 c 0.0706000
a = 0.02400000 c 0.0980000
= 0.00183333 c + 0.0138333
= 0.01400000 c + 0.1332000
p c = x i p c ,i
Pseudo critical pressure of gas mixture
Tc = xi Tc ,i
Pseudo critical temperature of gas mixture [K]
[atm]
i =1
N
i =1
17
c = x i c , i
Critical Riedel factor for gas mixture
c,i
Critical Riedel factor for component i
x1 K x N
[1]
i =1
Critical Riedel factor is calculated using the acentric factor by equation of Edmister
c = 5.7839 + 4.8763
As a result, this simplification leads to 3-parametric equation of the form z = z ( p r , Tr , ) .
3.4.2. Full mixing rules

The general mixing rules for BWR equation of state are
N
A0 = xi A0,i
i =1
B0 = xi B0,i
i =1
C 0 = x i C 0 ,i
i =1
a = xi 3 ai
i =1
b = xi 3 bi
i =1
c = x i 3 ci
i =1
= xi 3 i
i =1
= xi i
i =1
Here
x1 K x N
Subscript i

Stands for BWR equation constants for component i
[1]
The constants of BWR equation for basic 21 gas components listed in ISO 12213 are
predefined in SIMONE. The user has the possibility to add new gas component and enter the
constants for it.
18
3.5.
AGA8 DC92 equation
The expansion of compressibility factor according to AGA8 DC92 (ISO 12213-2) equation is
18
58
n =13
n =13
z = 1 + B~ r C n + C n bn c n k n rkn rbn exp c n rkn
Here
r
bn , c n , k n
Second virial coefficient (function of temperature and
composition)
Molar gas density
Dimensionless reduced density
Constants
[mol.dm-3]
[1]
[1]
C n
Coefficients dependent on temperature and composition
[1]
z
B
~
[1]
[dm3.mol-1]
The reduced density is related to molar density by equation
r = K 3 ~
Here
Mixture size parameter (function of composition)
K3
[dm3.mol-1]
The procedure for calculation of composition and temperature-dependent coefficients is rather

complicated. For further details please refer to ISO 12213-2.
3.6.
Thermodynamic properties of real gas
All important thermodynamic properties of gas can be derived from the equation of state,
namely
Specific heat
Isentropic exponent
Joule-Thomson coefficient
3.6.1. Specific heat

Molar gas specific heat of real gas is calculated by
c~p = c~p0 (T ) + c~p ( p, T , x1 , K , x N )
Here
c~p
Molar specific heat (for constant pressure) [J.mol-1.K-1]

c~p0 (T )
c~p ( p, T , x1 , K , x N )
19
Molar specific heat of ideal gas
[J.mol-1.K-1]
Correction to real gas behavior
[J.mol-1.K-1]
Specific heat per unit of mass is then

c~p
cp =
Specific heat of real gas [J.kg-1.K-1]

Molar weight of gas
[kg.mol-1]
cp
M
The ideal gas specific heat is a function of temperature and in SIMONE is approximated by
second-order parabola:
c~p0 (T ) = A + B T + C T 2
For gas mixture the coefficients are simply mixed form pure component values
A N Ai

B = x i Bi
C i =1 C
i

Here
x1 K x N
Subscript i

Stands for mixture component i
The real gas correction can be expressed by equation

p
2
dp
~ z
2 z
~
c p = R 2T
+ T 2
T p
T p p
0

Here
~
R
z
Universal gas constant [J.mol-1.K-1]

Compressibility factor [1]
3.6.2. Isentropic exponent

Isentropic exponent is defined by relations
~
V p
~
pV = const. or = ~
p V S
and can be calculated by the formula
20
z
~
R
Z p ~ Z T2
cp
Here
p
~
V
S
z
Pressure
Molar volume
Entropy
[Pa]
[m3.mol-1]
[J.mol-1.K-1]
[1]
z
Z p = z p
p T , x1Kx N
Dimensionless derivative of compressibility factor
[1]
[1]
z
ZT = z + T
T p , x1Kx N
~
R
c~
p

[J.mol-1.K-1]
Molar specific heat of real gas (for constant pressure) [J.mol-1.K-1]
3.6.3. Joule-Thomson coefficient

The (differential) Joule-Thomson coefficient is defined as
T
JT =
p H
and can be calculated from the equation
JT
~
T R
= ~ (Z T z )
p cp
Here
JT
p
T
H
z
z
ZT = z + T
T p , x1Kx N
~
R
c~
p
Pressure
Temperature
Enthalpy
[K.Pa-1]
[Pa]
[K]
[J.mol-1.K-1]
[1]
[1]

[J.mol-1.K-1]
Molar specific heat of real gas (for constant pressure) [J.mol-1.K-1]
The integral Joule-Thomson effect, i.e. temperature change caused by pressure drop during
isenthalpic process, can be described by the initial-value problem
21
T ( p1 ) = T1
dT
= JT ( p, T )
dp
T2 = T ( p 2 )
Here
p1
T1
p2
T ( p)
T2
Starting pressure
Starting temperature
Final pressure
Solution of the initial-value problem
Final temperature
3.7.
[Pa]
[K]
[Pa]
[K]
Calculation of gas properties using gas composition
In gas transport & distribution, volumetric quantities and units are widely used:
Flow rates and line pack are expressed in standard volumetric units (defined for
standard condition pressure 101.325 kPa and temperature typically 0, 15 or 20C)
Volumetric heating value per unit volume in standard condition; thermal billing is
based on volumetric flow rate and volumetric heating value
Relative density is used to convert volume of gas to mass.
The composition of gas can be expressed in volumetric fractions (defined for standard
condition) rather then in molar or mass fractions.
On the other hand, all equations mentioned above (flow equation, equations of state) are
based on mass or molar quantities.
SIMONE supports the conversion of molar quantities to volumetric and vice versa using
formulae consistent, whenever possible, with ISO 6976 norm.
3.7.1. Calculation gas relative density and volumetric heating value

using gas composition
Gas relative density r is related to gas molar mass M
r=
z air ,0 M
z 0 M air
Here
z air ,0
Compressibility factor of air at standard condition

z air ( p0 , 0C ) = 0.99941
z air ( p0 , 15C ) = 0.99958
z air ( p0 , 20C ) = 0.99963
[1]
22
p0 = 101.325 kPa
[kg.kmol-1]
M air
Molar weight of air

M air = 28.9626 kg.kmol-1
z0
M
Compressibility factor of gas at standard condition [1]

Molar mass of gas mixture
[kg.kmol-1]
N
M = xi M i
i =1
xi
Mi
Molar fractions of mixture components

Molar weights of mixture components
[1]
[kg.kmol-1]
Molar gas heating value is the amount of heat released by burning 1 kmol of gas at constant
pressure p0 = 101.325 kPa while the temperature of gas and air before combustion and the
temperature of combustion products are the same:
~
H U [TH ] [MJ.kmol-1]
TH
Temperature of combustion products (0, 15, 20 or 25oC)
SIMONE uses the upper (superior) heating value (i.e. all water in combustion products is
assumed to condense) at the temperature TH = 25C .
Molar heating value for gas mixture is given by simple weighted sum of molar heating values
of individual mixture components:
N
~
~
H U = xi H U ,i
i =1
Volumetric gas heating value is the amount of heat released by burning 1 m3 std. of gas at
constant pressure p0 = 101.325 kPa (while the temperature of gas and air before combustion
and the temperature of combustion products are the same):
H U = H U [TH , T0 ] [MJ/m3 std.]

Temperature at standard condition (typically 0, 15 or 20C) used to define
T0
1 m3 std.
The relation of molar and volumetric heating value is given by the formula
~
H U [TH ] p0
H U [TH , T0 ] =
~
z 0 R T0
For the above listed conversion formulae, the compressibility factor of gas at standard
condition z 0 is necessary.
For known composition of gas mixture, the compressibility factor at standard condition can be
calculated by the ISO 6976 formula

N
z 0 = 1 xi bi
i =1
bi
23
Summation factor for component i
[1]
~
The data for individual components (heating values H U ,i ; summation factors bi for 0, 15 and
20C) are taken from ISO 6976:1995(E), Table 1-3.
3.7.2. Conversion of molar to volumetric fractions and vice versa

Volumetric fractions yi are defined for standard condition p0 = 101.325 kPa , T0 (typically 0,
15 or 20C). The conversion formulae are
yi
z 0 ,i
xi = N
, i = 1, K , N
yj
z
j =1
yi =
0, j
x i z 0 ,i
N
x
j =1
z 0, j
, i = 1, K , N
Here
z 0,i
Compressibility factor of component i at standard condition [1]
The values of z 0,i are taken from ISO 6976:1995(E), Table 2.
3.8.
Gas viscosity
By default, the gas viscosity is taken as constant entered within the network editor. However
for the case of e.g. high-pressure systems with coated pipes the effect of varying viscosity can
be included.
SIMONE supports currently two classic correlations for gas viscosity:
Lee64 Lee, Starling, Dolan, Elington (1964)

Lee66 Lee, Gonzalez, Eakin (1966)
Any user-preferred equation of the form
= ( , T , x ) or = ( p, T , x )
can be easily included as well. Here
24
p
T
x
Dynamic viscosity
Gas density (mean value for pipe element)
Pressure (mean value for pipe element)
Gas temperature (mean value from temperature profile for pipe element)
Gas composition vector of molar fractions
[Pa.s]
[kg.m-3]
[bar]
[K]
[1]
3.8.1. Equation Lee64

This correlation for viscosity of natural gases was published in 1964 by Lee, Starling, Dolan,
Elington (AIChE Journal, Sept. 1964, 10(5), pp. 694-697). Gas viscosity is expressed in terms
of density, temperature and molar mass:
= K exp(X Y )
K=
(7.77 + 0.0063M )T 1.5
122.4 + 12.9 M + T
1914.5
X = 2.57 +
+ 0.0095M
T
Y = 1.11 + 0.04 X
Here
T
M

Gas density
Gas temperature
Gas molar mass
[Poise=10-7Pa.s]
[g.cm-3]
[R]
[g.mol-1]
3.8.2. Equation Lee66

The correlation by Lee, Starling, Dolan, Elington (1964) has been modified by Lee, Gonzalez,
Eakin (JPT August 1966, pp. 997-1000) for better fit with density calculated by simple
methods (Theorem of Corresponding States). Later on, the coefficients were mentioned in
slightly modified form by Danesh (Danesh: PVT and Phase Behavior of Petroleum Reservoir
Fluids, Elsevier, 1998):
= K exp(X Y )
K=
(9.379 + 0.0160M )T 1.5
209.2 + 19.26 M + T
986.4
X = 3.448 +
+ 0.01009 M
T
Y = 2.4 0.2 X
Here again
T
M

Gas density
Gas temperature
Gas molar mass
[Poise=10-7Pa.s]
[g.cm-3]
[R]
[g.mol-1]
25
4. Quality Tracking
To describe the dynamics of particular components of a gas mixture within the pipeline
system in an exact way, the mathematical model must contain the mass balance equation for
each component:
mci
ci
+S
= 0, i = 1K N
x
t
Here
m
S
Mass flow rate

Pipe cross section
Gas density
Mass fractions of gas components
Lengths coordinate
Time
ci K c N
x
t
[kg.s-1]
[m2]
[kg.m-3]
[1]
[m]
[s]
The momentum equation remains untouched.
4.1.
Solution procedure
The number of the above mentioned additional partial differential equations would complicate
the solution essentially. Therefore, an approximate solution has been adopted, based on the
following presumptions:
The quality signal is discrete, i.e., its value is known only for the discrete time of
sampling and no information exists within the sampling period;
Neither the time step of sampling need not be equal nor to the time step of calculation
nor to the sampling period of other variables.
The value of the sample of quality parameter is related to an infinitesimal volume of gas just
present at the sampling time in the place of sampling quality flag. The quality flag is
characterized by its position and by a set of values corresponding to the respective tracked
quality parameters.
The quality tracking is then formulated as a task to
Follow the movement of all quality flags entering the network in the supply points
until they leave the system
Simulate the mixing of quality values in all nodes of a network to which more than
one gas stream is linked to.
The moving of quality flags is simulated by a two steps procedure:

1. In each time step of simulation or state reconstruction, all the state variables for each
pipe element are calculated. Being the calculation finished, the flow-speed values are
used by the quality tracking procedure to calculate the new positions of all quality
26
flags, the mixing of quality parameters in the crossings of the network, and the
interpolated quality values in nodes.
2. As some parameters of the simulation model itself depend on the gas parameters, (gas
composition, relative density, heating value, critical temperature and critical pressure
etc.), all these values are used in the next step of simulation to calculate the new
values of corresponding coefficients.
4.2.
Quality parameters
The quality parameters are generally divided into three groups:

1. Gas physical properties
Gas volumetric heating value
Pseudocritical temperature of gas mixture
Pseudocritical pressure of gas mixture
Acentric factor of gas mixture
Three coefficients of ideal gas specific heat temperature expansion
2. User-defined parameters
Any user-defined property of gas (per 1 m3 std. of gas)
3. Gas composition
Such partitioning corresponds to the quality tracking options being set for the individual
network in topoeditor. The available options are:
Uniform gas quality the network is filled by gas of one composition only.
Gas physical properties tracking various gases at individual supplies can enter the
pipeline network. To describe the gas behavior, only the set of gas physical properties
is used and tracked over the network. This implies that only 2- or 3-parametric
equations of state can be used.
Gas composition tracking various gases at individual supplies can enter the pipeline
network and both gas physical properties and gas composition are tracked over the
network.
4.3.
Mixing rules
Let us consider the mixing of k streams of gas in one node:
(1)
(2)
(k)
27
The mixing of different gas streams is described by the following balance equations:
Mass balance:
k
m = m( j)
j =1
Molar balance (consider no chemical reactions):

k
m
m( j)
= ( j)
M
j =1 M
Here
m
M
Superscript ( j )
Mass flux
[kg.s-1]
Gas molar weight [kg.kmol-1]
Gas stream j
Therefore the mixing rule for all gas quality parameters can be written in a compact form:
M
~
HU
Tc
pc

=
B
x1
M
x
N
~
1
m( j )
( j)
j =1 M
k
M ( j)
~
H U( j )
( j)
Tc
( j)
pc
j )
k
m ( j ) A( j )
( j) ( j)
j =1 M
B
C ( j)
x1( j )
x( j)
N
~ ( j )
Here
Molar mass of gas
Molar heating value of gas
[kg.kmol-1]
[MJ.kmol-1]
M
~
HU
Tc
pc
A, B, C
Pseudo critical pressure of gas

[K]
Pseudo critical temperature of gas
[bar]
Acentric factor of gas
[1]
0
2
Coefficients of ideal gas specific heat expansion c~p (T ) = A + B T + C T
xi
Molar fractions of mixture components
[1]
28
Any (user-defined) parameter per 1 kmol of gas
[x.kmol-1]
29
5. Heat Dynamics
In the standard SIMONE package, heat dynamics are respected by calculating the temperature
changes in a pipeline behind a compressor station or pressure reducer using a fixed
exponential model. The temperature of each node can be entered individually for a particular
time period.
In most situations, this concept is quite satisfactory. Nevertheless, there are occasions when
the description of heat dynamics is required pipe sections downstream of compressor
stations, underwater lines, and long sections with high-pressure drop. In all of these cases, the
omission of heat balance results in a loss of accuracy.
Therefore the heat dynamics model is available in SIMONE.
5.1.
Differential Equations
Heat dynamics consists of two components:
Heat transients in the gas resulting from the Joule-Thompson effect longitudinal
dynamics.
Heat transients resulting from the heat exchange between the flowing gas and the
enveloping tube together with its further environment axial dynamics.
The following form of energy equation is used in SIMONE:

dh
T z p
T T z p
T
+ Swg
+ QE = 0
Sw
S cP
+ w S 1 +
dx
z T p x
z T p t
x
t
Here
S
cp
T
t
w
x
p
z
g
h
QE
Pipe cross section

Gas density
Gas specific heat
[m2]
[kg.m-3]
[J.kg-1.K-1]
Gas temperature
Time
Flow velocity
Lengths coordinate
Pressure
Gravity acceleration
Geodetic height
Heat flux from gas through the inner surface of
pipe to the surrounding soil per unit of length
[K]
[s]
[m.s-1]
[m]
[Pa]
[1]
[m.s-2]
[m]
[J.s-1.m-1]
The description of the heat flux QE should describe the effect of heat capacity of pipesurrounding soil, e.g. if gas cooler than near soil enters suddenly the pipe, the back heat flux
from soil to gas (until the near soil is cooled) occurs and should be modeled properly.
30
The character of the dynamic processes in the pipe and the surrounding soil is stiff it
consists of a quick component corresponding to the near soil and a very slow one
corresponding to the remote mass of soil. Therefore the process needs to be modeled by a
minimum of two capacitors with substantially different time constants:
d Ts1
= 1(T Ts1 ) 2 (Ts1 Ts 2 )
dt
dT
C 2 s 2 = 2 (Ts1 Ts 2 ) 3 (Ts 2 Tsoil )
dt
C1
Here
Gas temperature
Near soil temperature at the surface of first layer (capacitor)
Near soil temperature at the surface of second layer (capacitor)
Far soil temperature being not influenced by temperature changes of
gas; this value is referred in SIMONE scenario as Ground Temperature
(GT)
Heat capacity of first layer (per unit of pipe length)
Heat capacity of second layer (per unit of pipe length)
Heat transfer coefficient through first layer (per unit of pipe length)
Heat transfer coefficient through second layer (per unit of pipe length)
Heat transfer coefficient between the surface of second layer and the
surface of constant far soil temperature (per unit of pipe length)
T
Ts1
Ts 2
Tsoil
C1
C2
1
2
3
[K]
[K]
[K]
[K]
[J.m-1.K-1]
[J.m-1.K-1]
[J.m-1.K-1.s-1]
[J.m-1.K-1.s-1]
[J.m-1.K-1.s-1]
The heat flux QE is then given by the first right-hand side term in the equation for first layer
temperature:
QE = 1(T Ts1 )
The steady-state solution of axial heat dynamic leads to formula
QE (t + ) = Dk (T Tsoil )
Here
D
k
Internal pipe diameter

Overall heat transfer coefficient between gas and far soil (per unit of
internal pipe surface); this value is referred in SIMONE scenario as
Heat Transfer Coefficient (HTC)
[m]
[J.m-2.K-1.s-1]
The parameters of 2-layer model of axial heat dynamics must therefore obey the steady-state
condition
1
1
Dk
31
The dynamics of 2-layer model can be fully described by the following 4 parameters:
1
Dk
k3 = 3
Dk
k1 =
1 =
C1
1 + 2
2 =
C2
2 +3
Here
Dimensionless parameters describing the splitting of overall heat transfer [1]
coefficient into 3 resistors. They can be altered using SIMONE
parameters LEEKK1, LEEKK3
Time constants of the 2 capacitors. They can be altered using SIMONE [s]
parameters LEEKT1, LEEKT2.
k1 , k 3
1 , 2
The default settings for axial model dynamics ( k1 = 10 , k 3 = 1.25 , 1 = 8 h , 2 = 100 h )

correspond well for the behavior of fully-buried pipes.
SIMONE allows both models of axial heat dynamic to be used within scenarios:
SIMPLE only the steady-state heat flux between pipe and soil is used. This model is
for use in steady-state scenarios.
FULL the full axial dynamic is respected. However, the initial condition is to be
carefully prepared the initial gas temperature distribution should correspond to
steady-state profile in order to initialize reasonably the axial model.
5.2.
Heat Transfer Coefficient in SIMONE
In the following paragraph, the basic recommendations for the value of heat transfer
coefficient are summarized.
Heat flow between gas and surrounding environment (in a steady-state situation) is described
in SIMONE by equation
QE = D HTC (T Tsoil )
Here
QE
D
T
HTC
Heat flux from gas through the inner surface of pipe to the surrounding
soil per unit of length
Internal pipe diameter
Gas temperature
Heat transfer coefficient between gas and far soil (per unit of internal
[W.m-1]
[m]
[K]
[W.m-2.K-1]
32
pipe surface); this value is referred in SIMONE scenario as Heat

Transfer Coefficient (HTC)
Soil temperature being not influenced by temperature changes of gas; [K]
this value is referred in SIMONE scenario as Ground Temperature
(GT)
Tsoil
Let we suppose cylindrical model of n layers of different materials where the last layer has
constant temperature equal to Tsoil . The heat flow between gas and surrounding environment is
described then as
QE =
2
D
ln i +1
Di
i =1 i
n
(T Tsoil )
Here
Di
Diameter of layer i , for i = 1 it is internal diameter of tube
Heat conductivity of material in the layer between Di and Di +1
[m]
[W.m-1.K-1]
Comparing of both equations one obtains the equation for the Heat Transfer Coefficient
HTC =
D1
i =1
2
1
ln
Di +1
Di
Due to high conductivity and small thickness of pipe wall the layer of pipe itself can be
neglected. Typical situation can be represented by two layers, bitumen and clay. Because
for bitumen is roughly the same as for wet clay only one layer is sufficient and equation for
HTC can be rearranged as
HTC =
2
2
D ln1 +
Here
Thickness of the clay layer; at the outer surface of clay the temperature is assumed [m]
to be equal to Tsoil
33
To show how thickness of clay layer and pipe diameter D influence the relation between
HTC and see the following picture. The typical values for are summarized below:
Material
Concrete
Dry clay
Wet clay
Bitumen
[W.m-1.K-1]
1.28 1.5
0.14
0.65
0.6
HTC/lambda
clay thickness 500 mm
clay thickness 1000 mm
HTC/lambda
5
4
3
2
1
0
200
400
600
800
1000
1200
1400
Diameter [mm]
5.3.
Suppressing Joule-Thomson effect for pipes
A user requirement to suppress Joule-Thomson effect in the longitudinal temperature profile

has been met. Therefore the heat dynamics model in SIMONE has been adapted to support
this requirement, if it is stated explicitly in the scenario using the JTEP parameter.
If one rearranges the energy equation to point out Joule-Thomson coefficient
p
p
T
dh
T
+ w S (1 + c p JT )
Sw c p JT
+ Swg
+ QE = 0
S cP
x
dx
t
x
t
then neglecting Joule-Thomson effect leads to
p
T
dh
T
+w S
S cP
+ Swg
+ QE = 0
x
dx
t
t
34
6. Compressor Stations
6.1.
Basic thermodynamics relations
6.1.1. Pressure ratio

=
p0
pi
Here
pi
po
Pressure ratio
[1]
Inlet (suction) pressure
[Pa]
Outlet (discharge) pressure [Pa]
6.1.2. Adiabatic head

H ad =
1
RTi z i 1
1
Here
H ad
R
Ti
z i = z ( pi , Ti )
Adiabatic head
Isentropic exponent (mean value)
Gas constant
Inlet gas temperature
Compressibility factor at inlet condition
Pressure ratio
6.1.3. Adiabatic efficiency

ad =
H ad
Ho Hi
Here
ad
H ad
Hi
Ho
Adiabatic efficiency
Adiabatic head
Gas enthalpy at inlet condition
Gas enthalpy at outlet condition
6.1.4. Shaft power

P = m(H o H i ) = m
H ad
ad
[1]
[kJ.kg-1]
[kJ.kg-1]
[kJ.kg-1]
[kJ.kg-1]
[1]
[kJ.kg-1.K-1]
[K]
[1]
[1]
35
Here
m
ad
H ad
Hi
Ho
Mass flow rate

Adiabatic head
Gas enthalpy at inlet condition
Gas enthalpy at outlet condition
[kg.s-1]
[1]
[kJ.kg-1]
[kJ.kg-1]
[kJ.kg-1]
6.1.5. Discharge temperature

The calculation of discharge temperature consists of two steps:
1. Temperature change due to compression of ideal gas. The formula is selected using
the THETAEQ (Theta equation) scenario parameter:
Basic (default) equation taking into account
Tx = Ti
1
ad
RG1991 (Fasold et al)
1
+ 1
Tx = Ti
ad
Isentropic equation
Tx = Ti
2. The temperature Tx obtained in previous step is corrected to the real gas behavior
using formula selected by the THETACOR (Theta correction) scenario parameter:
Basic (default)
To = Tx
zi
z ( p o , Tx )
RG1991 iterate To starting form Tx (Fasold et al)

zi
To = Tx
z ( p o , To )
No correction
To = Tx
36
Here
Ti
ad
Tx
z
To

Isentropic exponent (mean value)
Pressure ratio
Ideal gas outlet temperature after compression
Outlet gas temperature
[K]
[1]
[1]
[1]
[K]
[1]
[K]
6.1.6. Isentropic exponent

The mean value of isentropic exponent is calculated using one of three methods according to
the KAPPA (Isentropic exponent calculation) scenario parameter:
1. Constant (default) isentropic exponent is constant and equal the value being set in
topoeditor
2. RG Equation temperature-dependent relation is used
k (T ) = 1.290 5.8824 10 4 (T 273.15)

Here
T=
Ti + To
2
Mean gas temperature during compression [K]
3. Equation of state isentropic exponent is calculated from currently used equation of

state
z
R
Z p Z T2
cp
Here
[1]
z
Z p = z p
p T , x1Kx N
Dimensionless derivative of compressibility

factor
[1]
z
ZT = z + T
T p , x1Kx N
R
cp
Dimensionless derivative of compressibility

factor
[1]
Gas constant
Real gas specific heat (for constant pressure)
[J.kg-1.K-1]
[J.kg-1.K-1]
The mean value of isentropic exponent is used:
37
i +o
2
6.1.7. Volumetric flow rate

m
Qvol ,i =
=m
RTi z i
pi
Here
Qvol ,i
m
R
Ti
zi
Volumetric flow rate at inlet condition
[m3.s-1]
Mass flow rate

Gas density at inlet condition
Gas constant
[kg.s-1]
[kg.m-3]
[J.kg-1.K-1]
[K]
[1]
6.2.
Centrifugal compressor
SIMONE uses the working envelope (wheel map) of centrifugal compressor in the
coordinates (inlet volumetric flow rate Qvol .i adiabatic head H ad ).
The envelope is approximated by set of curves expressing adiabatic head and adiabatic
efficiency as biquadratic polynomials in compressor speed and volumetric flow rate:
H ad
ad
a1
= 1 n n a2
a
3
a4
b1
= 1 n n b2
b
3
b4
(
(
)
)
a5
a6
b5
b6
a 7 1
a8 Qvol ,i
2
a9 Qvol
,i
b7 1
b8 Qvol ,i
2
b9 Qvol
,i
Here
ad
H ad
n
Qvol ,i
Adiabatic head
[kJ.kg-1]
Compressor revolutions (speed in r.p.m.) [min-1]
[m3.s-1]
a1 K a9 , b1 Kb9
Coefficients
[1]
38
6.3.
Reciprocating compressor
The working envelope of reciprocating compressor is drawn in coordinates (inlet volumetric

flow Qvol .i shaft torque M T ).
The inlet volumetric flow rate corresponds to compressor speed
Qvol .i = VW
n
60
Here
[m3.s-1]
Qvol ,i
VW
n
Working volume of compressor (per 1 shaft revolution) [m3]

Revolutions
[min-1]
The torque corresponds to shaft power
PS = 2
n
MT
60
Here
PS
n
MT
Shaft power [kW]

Revolutions [min-1]
Torque
[kNm]
Combining the above equations with the general formula for compressor shaft power, one
obtains the relation between adiabatic head and torque:
MT =
VW
2 ad
H ad i
Here
VW
ad
H ad
Working volume of compressor (per 1 shaft revolution)

Adiabatic efficiency (assumed constant within the whole
operation range of reciprocating compressor)
Adiabatic head
Gas density at inlet condition
[m3]
[1]
[kJ.kg-1]
[kg.m-3]
6.4.
39
Gas turbine
Gas turbine is described by two graphs:

1. Turbine maximum performance as function of turbine speed and ambient temperature,
approximated by biquadratic polynomial:
Pmax
c1
= 1 n n 2 c2
c
3
c4
c5
c6
c 7 1
c8 t amb
2
c9 t amb
Here
Pmax
n
Maximum turbine performance

[kW]
Revolutions (speed in r.p.m.) turbine output [min-1]
or compressor shaft revolutions
Ambient temperature
[C]
Coefficients
t amb
c1 K c9
2. Fuel gas consumption as function of shaft power, approximated by parabola:
PF = d1 + d 2 PS + d 3 PS2
Here
PF
PS
d1 K d 3
6.5.
Fuel gas consumption in energy units [kWh.h-1]

Turbine performance
[kW]
Coefficients
Gas engine
Gas engine is described by two curves:

1. Shaft performance as a function of speed, approximated by parabola:
Pmax = c1 + c 2 n + c3 n 2
Here
Pmax
n
c1 K c3
Maximum engine performance

[kW]
Engine revolutions (speed in r.p.m.) [min-1]
Coefficients
40
2. Fuel gas consumption as function of shaft power, approximated by parabola:
PF = d1 + d 2 PS + d 3 PS2
Here
PF
PE
n
d1 K d 3
6.6.
Fuel gas consumption in energy units [kWh.h-1]

Engine performance
[kW]
Engine revolutions (speed in r.p.m.) [min-1]
Coefficients
Electro drive
The electro drive is described by two characteristics:

1. Shaft performance curve:
a. For asynchronous drives and drives with continuous speed control the
maximum shaft performance is a function of speed (r.p.m.) and ambient
temperature (influence of cooling), described in similar way as that for gas
turbines:
Pmax
c1
= 1 n n c2
c
3
c4
c5
c6
c 7 1
c8 t amb
2
c9 t amb
Here
Pmax
n
t amb
c1 K c9
Maximum drive performance

[kW]
Drive revolutions (speed in r.p.m.) [min-1]
Ambient temperature
[C]
Coefficients
b. For synchronous drives the maximum shaft power is a function of revolutions,

described in similar way as that for gas engines:
Pmax = c1 + c 2 n + c3 n 2
Here
Pmax
n
c1 K c3
Maximum drive performance

[kW]
Drive revolutions (speed in r.p.m.) [min-1]
Coefficients
41
2. Energy consumption curve is function of shaft power:
PE = d1 + d 2 PS + d 3 PS2
PE
PS
d1 K d 3
6.7.
Energy consumption [kW]

Drive performance
[kW]
Coefficients
Steam drive (combined cycle)
For modeling of combined-cycle drives (primary gas turbine, steam boiler utilizing exhaust
heat and secondary steam turbine) the correlation of total energy consumption of primary
turbines and shaft power of secondary turbine is used:
2
FFP = a1 + a 2 PSS + a3 PSS2 or PSS = b1 + b2 FFP + b3 FFP
Here
FFP
PSS
a1 K a3 , b1 Kb3
Fuel gas consumption of primary gas turbine [kWh.h-1]

(sum for all primary turbines) in energy units
Shaft power of secondary steam turbine
[kW]
Coefficients
To prevent on/off cycling, the combined cycle can be
Started only if the fuel gas consumption of primary turbines is sufficiently high
FFP > FFP , start
Stopped only if the fuel gas consumption is lower than prescribed switch-off limit
FFP < FFP , stop < FFT , start
6.8.
Gas cooler
The gas cooler is described by an approximate characteristic equation
k
To = Tc ,i + (Ti Tc ,i )exp
m
Here
Ti
To
Tc ,i
Gas temperature at cooler inlet [K]

Gas temperature at cooler outlet [K]
Coolant inlet temperature
42
m
k
[kg.s-1]
[kg.s-1]
Gas mass flow rate

Constant coefficient
6.9.
Local pressure loss
For the compressor station element, the pressure loss in inlet and outlet parts of piping yard of
the compressor station can be modeled. In addition, the local pressure drop between stages
can be taken into account.
Local pressure loss is calculated using local pressure loss coefficient
1
pi p o = i wi2
2
Here
pi
po
wi
Pressure at resistor inlet

Pressure at resistor outlet
Pressure loss coefficient
Gas density at resistor inlet
Velocity at resistor inlet
[Pa]
[Pa]
[1]
[kg.m-3]
[m.s-1]
The gas velocity is calculated using representative internal diameter of compressor station D ,
entered in network element data:
wi =
4m
D 2 i
Here
m
D
Mass flow rate through element [kg.s-1]

Element diameter
[m]
43
7. Controlled valves
7.1.
Preheating power
Due to Joule-Thomson effect, the pressure drop in control valve is accompanied with
temperature drop. To avoid dangerously low temperatures at the outlet of controlled valve, the
gas is being preheated before it enters the valve.
The temperature drop is calculated from integral Joule-Thomson effect:
T ( pi ) = Ti
dT
= JT ( p, T )
dp
To = T ( p o )
Here
pi
Ti
po
JT
T ( p)
To
Inlet pressure
Inlet temperature
Outlet pressure
Outlet temperature
[Pa]
[K]
[Pa]
[K.bar-1]
[K]
The preheating power is calculated from the formula
P = m(T2 T1 )
c p ( p1,T 1 ) + c p ( p 2 ,T 2 )
2
Here
P
m
cp
p
T
Subscript 1
Subscript 2
7.2.
Preheating power
Mass flow rate of gas
Gas specific heat
Pressure
Temperature
Exchanger inlet condition
Exchanger outlet condition
[kW]
[kg.s-1]
[kJ.kg-1.K-1]
[Pa]
[K]
Valves with characteristic
The valve in an intermediate position can be modeled as controlled valve element with
particular mode and setpoint equal to the opening percentage (using the SCVO scenario
parameter).
The flow rate through the valve in an intermediate position is a function of inlet pressure,
outlet pressure and the position of the valve. The valve position is expressed by opening
44
percentage (closed 0% and fully open 100%). An equation individual for each valve producer
& type describes this function:
m = m( pi , p o , o,K)
Here
m
pi
po
o
K
Mass flow rate

Inlet pressure
Outlet pressure
Opening percentage, o 0,100 ; 0=closed; 100=fully open
[kg.s-1]
[Pa]
[Pa]
[1]
Stands for other parameters, namely gas quality (relative

density) and inlet temperature
Two such formulae are currently implemented in SIMONE; other valve characteristics can be
implemented upon request.
7.2.1. Characteristic A (Mokveld)

The flow rate through valve is given by the formulae
V0 = CV 0 CVR
241F1 p1 Y 0.148Y 3
1.63
Y = min1.5;
F1
rT1 z1
p1 p 2
p1
Here
V0
CV 0
o
Volumetric flow rate at standard condition (101.325 kPa and 0C) [m3.h-1]
Sizing coefficient
[-]
Opening percentage, o 0,100
[1]
CVR (o ) Characteristic coefficient depending on opening percentage

CVR (0) = 0 ; CVR (100) = 1
F1 (o )
Characteristic coefficient depending on opening percentage
F1 (0 ) = 1 ; F1 decreasing function
p1
Inlet pressure (absolute)
p2
Outlet pressure (absolute)
T1
z1
r
[1]
[1]
[bar]
[bar]
[K]
[1]
[1]
The valve behavior is therefore described by the sizing coefficient CV 0 and functions CVR (o ) ,
F1 (o ) (being defined by table values).
45
7.2.2. Characteristic B (Argus)

The flow rate through valve is given by the formulae
For sub critical flow

p1
<2
p2
K VS K VR (o ) =
Q0
514
0T1
( p1 p 2 ) p 2
For supercritical flow
p1
2
p2
K VS K VR (o ) =
Q0
257 p1
0T1
Here
K VS
o
Sizing coefficient
Opening percentage, o 0,100
K VR (o ) Function of opening percentage

K VR (0) = 0 ; K VR (100 ) = 1
Volumetric flow rate at standard condition (101.325 kPa
Q0
and 0C)
p1
Inlet pressure (absolute)
p2
Outlet pressure (absolute)
T1
0
Gas density at standard condition (101.325 kPa, 0C)
[m3.h-1]
[1]
[1]
[m3.h-1]
[bar]
[bar]
[K]
[kg.m-3]
The valve behavior is therefore described by the sizing coefficient K VS and function K VR (o )
(being defined by table values).
7.3.
Local pressure loss
For the control valve element, the pressure loss in inlet and outlet parts of piping yard of the
control station can be modeled.
Local pressure loss is calculated using local pressure loss coefficient
1
pi p o = i wi2
2
46
Here
pi
po
wi

[Pa]
[Pa]
[1]
[kg.m-3]
[m.s-1]
The gas velocity is calculated using representative internal diameter of controlled valve D ,
entered in network element data:
wi =
4m
D 2 i
Here
m
D
Mass flow rate through element [kg.s-1]

Element diameter
[m]
47
8. Resistor
A resistor is an element representing the lumped resistance of an armature, partially closed
valve, filtering equipment etc. The hydraulic resistance is characterized by the local pressure
loss coefficient. The resulting pressure drop is described by the equation
1
pi p o = i wi2
2
Here
pi
po
wi

[Pa]
[Pa]
[1]
[kg.m-3]
[m.s-1]
The gas velocity is calculated using representative internal diameter of resistor D , entered in
network element data:
wi =
4m
D 2 i
The resistor element works in both directions of gas flow.

The temperature drop caused by Joule-Thomson effect is included in the resistor description:
T ( pi ) = Ti
dT
= JT ( p, T )
dp
To = T ( p o )
Here
pi
Ti
po
JT
T ( p)
To
Inlet pressure
Inlet temperature
Outlet pressure
Outlet temperature
[Pa]
[K]
[Pa]
[K.bar-1]
[K]
48
9. Solution methods
The set of original methods developed within the SIMONE project is what makes the power
and quality of SIMONE system.
As a rule, the description of a pipeline network consists of thousands of non-linear partial
differential equations and of hundreds of inequalities and constraints. In principle, the
requirements on a dynamic simulation model result from the great extent of reality being
described, and from the great complexity of its mathematical description:
1. The transients in network elements must be described with high accuracy. Otherwise,
due to the accumulation of errors in a great complex network, an unacceptable
inaccuracy may result.
2. High speed of simulation is required even for very extensive networks. This is
important to get high value of the ratio (real time)/(simulation time). The greater this
ratio, the wider the operation possibilities in practical, particularly on-line use.
Another essential benefit of the high speed of simulation will be appreciated in
building the (optimum) control system.
3. To bring down the memory demands is required, because due to the great number of
network elements and variables, they may exceed the possibilities of even powerful
computers.
4. In the network, both extremely slow transients and quick ones (after a rupture of a
tube or opening a valve) may occur. The model must simulate both with high accuracy
being simultaneously safe against any oscillations of the numeric solution.
5. The simulation model must copy the reality in all aspects. The model must therefore
simulate, besides the transients in pipes, the behavior of all other elements, namely
compressor stations, in full variety of their technological realization.
Besides all the technical reasons, there exists one good reason more why all these
requirements must be respected: the dispatcher will quickly abandon the system which will
not be quick, exact, user friendly, and will not allow him to do everything what can be done
with the real network and in a most similar manner.
To satisfy the above-mentioned requirements, SIMONE simulation kernel is based on the
following keystones:
Modified implicit integration method was developed to ensure safe numerical stability
of solution (item 4) in all transient conditions. It is safe against parametric oscillations,
which could rise due to the stepwise linearization of nonlinear equations, and exactly
maintains the mass balance condition.
The demands on small memory consumption and high speed of calculation (items 2
and 3) are satisfied by means of a proprietary decomposition method that the
simulation system is based on. This method takes advantage of sparseness of the
system matrix and of its specific structure.
Proprietary algorithmic procedure has been developed which allows the solution of
combined set of nonlinear partial differential equations (pipes) together with the
characteristics and constraints of non-pipe elements (compressor stations and
controlled valves). It satisfies the demand of realistic description of all aspects of
49
simulated reality (item 5) by an easy and flexible linkage of non-pipe elements into the
model of a pipeline network.
50
10. State reconstruction

The state of network is described by a complete set of values for all process variables, namely
pressures and flow rates, for the entire network. Naturally, because of the perpetual transients
in the network, the state changes continually.
The task to calculate the most probable estimate of the actual state of the network on the basis
of a restricted number of measured variables and considering the individual accuracy of
measurements is called state reconstruction.
In control theory the concept of State Observer is used for the state reconstruction task.
Nevertheless, the solution of this problem can be found in literature only for zero mean
random errors and zero systematic errors of measured variables.
The ability to find the state of given dynamic system on the basis of a set of values measured
over a time interval is called observability. Consider all non by-passed compressor stations,
control valves, and closed valves removed from the network. This divides the network in
separated sub-networks. If all supplies and off-takes are measured, set points of non-pipe
elements are known, and at minimum one pressure measurement exists in each sub-network,
the entire system is observable. The sub-network in which the pressure measurement is for a
longer time not available is not observable. The reason is the following. The errors in flow
rate measurements result in uncertainty of the in-take/off-take balance of the sub-network.
Without the information about pressure the system is unable to compensate the drift of
balance.
State reconstruction is build as Observer, which is using closed loop system consisting of
dynamic Model of the System and Controller.
Input
System
err_2
err_1
real
state
estimated
state
Model
measurement
-
Controller
What is above dashed line is for us unknown. We have only Model of the System and input
and restricted number of measurements that are corrupted by errors. If Model is good
51
approximation of System and Controller makes the closed loop stable then Observer (laying
bellow dashed line) is able to fulfill the task of state reconstruction.
The output of the dynamic model is compared with measured variables. The difference is
used by the controller that actuates on the model to minimize the difference i.e., to get the
state of the simulated system close to reality. The task is to find such a gain of the controller,
which corresponds to an optimum solution. If the optimum solutionis defined by the
minimum variance of state reconstruction error, the solution is known as Kalman filter.
10.1.
State reconstruction in SIMONE
In the case of pipeline networks, such a solution is not practical due to the high dimension of
the system. Instead of an optimum, a sub-optimum solution combining the mathematical
approach with engineering aspects has been elaborated. The result is the real-time state
reconstruction.
The state reconstruction is performed in two subsequent steps:
1. In the first step, the simulation is calculated. Within the step, the corrections of intakes and off-takes are done in the nodes with pressure measurements. The correction
is done by the additional artificial off-takes, the quantity of which are stated on the
basis of pressure measurements considering the accuracy of pressure and flow rate
data.
Input pressure, output pressure, and flow rate are used to be measured for the
controlled elements (compressor stations and control valve). From these values the
special control mode is constructed to minimize for each controlled element the
objective
(p
pi
pi2
) + (p
2
p o
2
po
) + (m m ) + (m m )
2
m2
s2
subject to hydraulic conditions in tubes. Other constraints like compressor

characteristics are not taken into account.
Here
pi , pi
Input pressure, accuracy of input pressure measurements
p o , po
Output pressure, accuracy of output pressure measurement
m , m
Flow rate, accuracy of flow rate measurement

Flow rate driven by set-point requirement, accuracy of flow rate set-point
requirement
Marks the measured values
ms , s
Accuracy of the flow rate given by set-point requirements is by experience set

to 0.07 m s . If any measurement is not available, the corresponding term in the objective
is omitted.
52
2. In the second step, the distances between measured and estimated pressures are
minimized respecting the uncertainty of pressure drops on tube elements computed in
the first step. The minimized objective is
(P P )
* T
RP1* P P * + (P P_ ) RP1 (P P_ ) + (P P_ ) R_1 (P P_ )

T
Here
P
P_
Vector of estimated pressures

Vector of pressures in the first step
P*
Vector of measured pressures (zero in the diagonal matrix RP corresponds to

non-measured pressure)
Vector of estimated pressure drops on pipe elements
Vector of pressure drops on pipe elements in the first step
P_
R P
R_1
RP
10.2.
Diagonal matrix with non-zero elements in the nodes with pressure

measurements only; the values of these elements are variances of pressure
measurements
Diagonal matrix with positive elements close to zero; it is used only to
overcome numerical problems arising when in some part of the network the
pressure measurements are missing
Diagonal covariance matrix of pressure drops derived from resistance of tubes
and uncertainty of flow rates in the first step
Outlying Measured Data
The SIMONE concept is based on suppressing of outliers instead of omitting. The reason is to
avoid the possible loss of observability in case that all pressure measurements are omitted in a
sub-network. In SIMONE, the following method is used:
If the difference between the results of the first reconstruction step and the pressure
measurement is greater than rel p p , where rel p is coefficient and p is accuracy
of pressure measurement, then the difference value is locally used as modified
accuracy of the measurement.
If the difference between the first reconstruction step and flow rate measurement is
greater than rel m m , where rel m is coefficient and m is accuracy of flow rate
measurement, then this number is locally used as modified accuracy of the
measurement.
The results of this approach evidently depend on parameters rel p and rel m .
10.3.
State Reconstruction Parameters
The process of state reconstruction requires several parameters defined in program

environment. Different setting of parameters is recommended for the starting reconstruction
run where initial conditions may be far from reality and for normal reconstruction run
where initial conditions are already rather realistic. Nevertheless, modification of these
parameters is recommended only to experienced user.
relQP
53
Real number modifying artificial off-takes (these are defined in all supply/offtake nodes where pressure measurement is available) as
QP =
Here
Q * relQP
(p p* )
p
Q is accuracy of supply/off-take
p is accuracy of pressure measurement.
Recommended value is 0.2;1.

sigma _ m
Coefficient reflecting uncertainty of pipe line pressure drops in the first step of
reconstruction (see matrix RP ).
.
Recommended value is 0.03;010
rel p
Coefficient for managing outlying pressure measurement data.

Recommended value is 3;10
rel m
Coefficient for managing outlying flow rate measurement data.

Recommended value is 5;20
For starting reconstruction run use values of parameters near to upper bound and for
normal reconstruction run to lower bound.
10.4.
Tools for Scanning State Reconstruction
For scanning and checking the state reconstruction results, the following values can be
displayed by SIMONE graphic support:
nodename.phat
Change of pressure in node nodename in the second step of

reconstruction
node1^node2.qrec Mean value of extra flow rate corresponding to the change of pressures
in the element node1^node2since the last writing of results to the
database
subsystem.aqrec
Mean value of extra flow rate corresponding to the change of
pressures in the subsystem subsystem since the last writing of results to
the database. This gives information about imbalance of in-takes and offtakes in the subsystem
subsystem.aqp
Mean value of flow rate corresponding to the sum of artificial off-takes in
the subsystem subsystem since the last writing of results to database
subsystem.asupp Mean value of flow rate corresponding to the sum of supplies in the
subsystem subsystem in the reconstruction since last writing of results
to database.
subsystem.aoff
Mean value of flow rate corresponding to the sum of off-takes in the
subsystem subsystem in the reconstruction since last writing of results
54
to database
The reason for using the mean value of flow rate since the last writing is the calculation of
mass balance under the circumstances of different computation time step and writing time
step.
There are two integrals in the graphic arithmetic: INTG for integrating by trapezoidal rule and
INTG2 for rectangular rule. To compute balances use INTG only for supplies and off-takes
where continuous linear interpolation between samples is assumed. For all other flow rates
use INTG2.
There is possible to use in topology visualization the statement tv qrec to have quick
look over the situation in network at one time instant.
Using subsystem TOTAL, the above data for the whole network are displayed.
Because gasses of different quality may stream within the network, the above subsystem
variables are expressed in volumetric units using the default gas defined in topoeditor.
55
11. Steady-State Optimization

The steady-state optimization for fixed compressor configurations is based on gradient
method of feasible directions. The attention is focused on the design of the control strategy
with respect to commercial policy taking into account the network possibilities, the storage
capacities, the structure of contracts, etc. Also the on-line use of the steady-state optimization
is described.
11.1.
Objective Function
The objective function is represented as a sum of different penalty functions (for fuel
consumption, for price of purchased gas, for pressure condition, etc.). The components of
penalty functions can be classified into two groups:
Terms expressing the basic aims of optimization (fuel consumption, prices of gas etc.).
Terms substituting some constraints by penalty functions (e.g., for pressure and flow
rate conditions) to reach the feasibility.
If the components of the above two classes are merged together in one objective function, the
valley problem may emerge what decreases the speed of convergence. Therefore, we
recommend to use only the terms from the second group for finding a feasible solution, and
then apply the first group (completed by all constraints) for the optimization itself.
11.2.
Constraints
The constraints can be classified into three basic groups:

1. Constraints related to pipe elements. These constraints are equalities.
2. Constraints related to non-pipe elements and representing the fixed operation limits of
built-in technological de-vices (compressor stations, control valves). These constraints
are inequalities.
3. Constraints determined by contractual conditions. These constraints are inequalities.
The constraints 1 and 2 can be derived from the simulation model; the constraints 3 are
defined (and changed) by the user.
11.3.
SIMONE Method of Steady-State Optimization
The method is based on the generalized reduced gradient method and generalized projection
gradient method with the use of a steady-state simulation model.
The set of constraints can be divided into two basic groups: the equality constraints (group 1)
and the inequality ones (groups 2 and 3).
The constraints read after the local linearization at the working point x0 , for the first group:
Ax 0 x = a x 0
56
and for the second group
B x 0 x bx 0
The number of equality constraints can be great (it is determined by the network extent), but
the following transformation can simply be computed (using the knowledge of the structure of
Ax 0 ):
x = Dx0 y
where y is a choice of linearly independent variables from x and matrix D x 0 has a special
structure given by the configuration of the network. From this follows, that it is advantageous
to respect these constraints in the computation of a new step of optimization by gradient
reduction.
The inequality constraints will then be transformed to:
M x 0 y bx 0
M x0 = Bx0 Dx0
It should be noted that the vector y represents the set of control variables. The set points of
non-pipe elements need not necessarily correspond to real control variables used for the
optimization it is better to interpret them as a way how to describe the final optimum
solution (may be completed by some additional information about the pressure and flow rate
distribution).
The number of active constraints belonging to the second group is in comparison to the
number of constraints of the first group much smaller, but it changes within iterations. The
integration of these constraints in the first group would significantly complicate the
computation as well as the structure of the matrix D x 0 .Moreover, the procedure of
determining the D x 0 matrix would have to be repeated any time the number of active
constraints changes! For these reasons, the method of gradient projection was chosen to
respect the constraints. It enables to change the number of active constraints very simply. This
method also allows solving the problem of linearly dependent constraints (this problem does
not occur in the first group of constraints).
57
12. Hydrate formation risk analysis

12.1.
Equilibrium condition
The Hydrate Formation Risk analysis is based on detection of three-phase equilibrium

condition gas free water hydrate within the pipeline system. This equilibrium is expressed
by relation of
Local gas temperature T

Water dew point temperature Td
Hydrate equilibrium temperature Th .
This can be seen on the following picture showing the longitudinal profiles of pressure and
temperatures along a pipeline.
T<Td
Free water
present
Td(p,WC)
Th(p)
T
T<Td
T<Th
Gas
inlet
Hydrate formation
risk area
Gas
outlet
The water content of gas WC [g/m3 std. dry] is being tracked over the network (as a gas
quality parameter). For known water content and given pressure, the water dew point
temperature can be calculated anywhere in the network.
The hydrate equilibrium temperature calculation can take into account the effect of hydrate
inhibitor (methanol, glycols). For this purpose, the inhibitor content of gas IC [g/m3 std. dry]
is being tracked over the network.
58
12.2.
Water dew point
The water dew point temperature Td is calculated from the water content of gas
Td = Td ( p, WC , x ) .
Here
p
WC
x
Pressure
[Pa]
Water content of gas
[g/m3 std. dry]
Gas composition using molar fractions (dry gas) [1]
12.2.1.
Bukacek aprroximation
The equilibrium water content of gas is expressed as a function of pressure and temperature:
WC 0 =
A
+B
p
Here
WC 0
p
A,B
Equilibrium water content

[g/m3 at 101.325 kPa and 0C, dry]
Gas pressure
[bar]
Temperature-dependent coefficients:
The coefficients A and B are given by the following equations:

t 40C,+40C :
(
)
B = 0.0448739 exp(0.053570327t 0.00019866041t )
A = 4.9265573 exp 0.0737433t 0.00030673912t 2
t + 40C,+90C :
(
)
B = 0.0405058 exp(0.055042799t 0.00016553793t )
A = 6.1569611 exp 0.0620686t 0.00013096345t 2
t + 90C,+130C :
A = 6.1569611exp(0.0620686t 0.00013096345t 2 )
B = 0.0700737 exp(0.032637894t )
Bukacek approximation is suitable for sweet natural gases ( r 0.8 , xCO2 < 2% , x H 2 S < 1.5% ).
12.3.
59
Hydrate equilibrium
The hydrate equilibrium temperature is given by a function
Th = Th ( p, x )
Here
p
x
Pressure
[Pa]
Gas composition using molar fractions (dry gas) [1]
12.3.1.
Motiee approximation
Simple relation involving gas relative density only (published in form of charts)
Th = Th ( p, r )
has been approximated by Motie using the equation
t = b1 + b2 log p + b3 log 2 p + b4 r + b5 r 2 + b6 r log p

Here (note the imperial units!)
t
p
r
b1 Kb6
Temperature
[F]
Pressure
[psia]
Gas relative density [1]
Coefficients
The values of coefficients are
i
1
2
3
4
5
6
bi
-238.24469
78.996674
-5.352544
349.473877
-150.854675
-27.604065
The original charts exhibit relatively high uncertainty, especially for gas relative density
around 0.6. However Motiee approximation seems to perform well for sweet, methane-rich
gas.
60
12.3.2.
Carson-Katz method
Carson-Katz K vs -model is based on vapor-solid distribution coefficients. The hydrate

equilibrium temperature is calculated from the condition
xi
K ( p, T ) = 1
i
vs ,i
Here
K vs ,i
Vapor-solid distribution coefficient for gas component i
xi
Subscript i
Molar fraction of component i in dry gas

[1]
Hydrate-forming components of natural gas: CH4, C2H3, C3H8, i-C4H10, nC4H10, N2, CO2, H2S
[1]
The K vs ,i coefficients are calculated using the approximation published by Sloan:
ln K vs ,i = Ai + Bi t + C i p + Di t 1 + Ei p 1 + Fi pt + Gi t 2 + H i p 2 + I i pt 1 + J i ln pt 1 +
Ki p
+ Li tp + M i t p + N i pt
2
+ Oi tp
3 2
+ Pi t + Qi p t
3
+ Ri t
Here
t
p
Ai K Ri
Temperature [F]
Pressure
[psia]
Coefficients
12.3.3.
Ponomarev approximation
Ponomarev approximation of hydrate equilibrium

0.0541(P0 + t ) for t > 0C
log p =
0.0171(P1 + t ) for t < 0C
Here
p
P0 , P1
r x
r =
x
i
Pressure
Coefficients dependent on reduced relative density r
[at]
[1]
Reduced relative density
[1]
Relative density of component i

Molar fraction of component i in dry gas
Stands for CH4, C2H6, C3H8, C4H10 (sum of i-C4H10 and n- C4H10), CO2,
H2S
[1]
[1]
ri
xi
Subscript i
61
The values of P0 , P1 are given by the following table:
P0
r
0,56 24,25
0,57 21,80
0,58 20,00
0,59 18,53
0,60 17,67
0,61 17,00
0,62 16,45
0,63 15,93
0,64 15,47
0,65 15,07
0,66 14,76
0,67 14,51
0,68 14,34
0,69 14,16
0,70 14,00
P1
77,4
70,2
64,2
59,5
56,1
53,6
51,6
50,0
48,6
47,6
46,9
46,2
45,6
45,0
44,5
12.3.4.
P0
r
0,71 13,85
0,72 13,72
0,73 13,57
0,74 13,44
0,75 13,32
0,76 13,20
0,77 13,08
0,78 12,97
0,79 12,85
0,80 12,74
0,81 12,62
0,82 12,50
0,83 12,40
0,84 12,28
0,85 12,18
P1
43,9
43,4
42,9
42,4
42,0
41,6
41,2
40,7
40,3
39,9
39,5
39,1
38,7
38,3
37,9
P0
r
0,86 12,07
0,87 11,97
0,88 11,87
0,89 11,77
0,90 11,66
0,91 11,57
0,92 11,47
0,93 11,37
0,94 11,27
0,95 11,17
0,96 11,10
0,97 11,00
0,98 10,92
0,99 10,85
1,00 10,77
P1
37,6
37,2
36,8
36,5
36,2
35,8
35,4
35,1
34,8
34,5
34,2
33,9
33,6
33,3
33,1
Remarks on accuracy and choice of models
These models for hydrate equilibrium temperature calculation have been verified against the
codes CSMHYD (detailed thermodynamic model of hydrate equilibrium) and HYDK
(implementation of K vs -model) of Colorado School of Mines for the pressure range up to
about 100 bar (1500 psia) for three typical composition of natural gas:
Component [%mol.]
L-gas GroningenCH4-rich RussianH-gas North Sea
CH4
81,29
96,52
85,91
N2
14,32
0,26
1,00
CO2
0,89
0,60
1,49
C2H6
2,87
1,82
8,49
C3H8
0,38
0,46
2,31
H2O
0,00
0,00
0,00
H2S
0,00
0,00
0,00
H2
0,00
0,00
0,00
CO
0,00
0,00
0,00
O2
0,01
0,00
0,00
i-C4H10
0,00
0,10
0,35
n-C4H10
0,15
0,10
0,35
i-C5H12
0,00
0,05
0,05
n-C5H12
0,04
0,03
0,05
n-C6H14
0,05
0,07
0,00
Relative density r
0,645
0,581
0,650
Reduced relative density r
0,589
0,578
0,646
62
The results of CSMHYD, HYDK, Motiee, Ponomarev and our implementation of K vs -model
(referred below as HETKVS) are shown on the following pictures:
Hydrate equilibrium curve for "Groningen gas"
1000
CSMHYD p->T
CSMHYD T->p
p [bar]
100
CSM K-code
Motie
10
Ponomarev
HETKVS
1
-5
10
15
20
25
30
t [C]
Hydrate equilibrium curve for "Russian gas"

1000
CSMHYD
CSMHYD T->p
p [bar]
100
CSM K-code
Motie
10
Ponomarev
HETKVS
1
-5
10
15
20
25
30
t [C]
Hydrate equilibrium curve for "North Sea gas"

1000
CSMHYD
CSMHYD T->p
CSM K-code
Motie
Ponomarev
HETKVS
p [bar]
100
10
1
-5
10
15
t [C]
20
25
30
63
The results of hydrate equilibrium temperature calculation for given pressure may be
summarized in the following points:
The computationally simplest approximation by Motiee performs with precision

about 0.5 C for CH4-rich gas (Russian gas). For other natural gases (C2H6-rich Hgas North Sea and N2-rich L-gas Groningen) the error may significantly increase
(up to 5 C).
For Ponomarev approximation, the similar results as those for Motiee formula hold
(about 1C for Russian gas and significant decrease of accuracy for other two types
of natural gas). The higher computational complexity (gas composition tracking)
makes however this method inferior to Motiee formula.
The K vs -model performs much better even for very different gases as it takes the
composition of gas into account (observed accuracy to 1C for all three above
mentioned basic gas types, to 0.5 C for Russian gas). Therefore this model seems
to be the most recommendable general solution, well compromising accuracy and
speed.
12.4.
Effect of inhibitors
The lowering of hydrate equilibrium temperature due to presence of inhibitor is calculated by

Hammerschmidt equation
Th =
X
1297
M 100 X
Here
Th
M
X
Lowering of hydrate equilibrium temperature

[K]
Molar weight of inhibitor
[g.mol-1]
Weight fraction of inhibitor in solution with free water [% wt.]
Currently, methanol, ethylenglycol and diethylenglycol are supported as hydrate inhibitor.

The weight fraction X of inhibitor in solution with free water is calculated from the
equations:
WC = WC 0 ( p, T , x ) + WC l
IC = MC v ( p, T )X + WC l
X =
IC
100
WC l + IC
X
100 X
for methanol
for glycols
Here
WC
WC 0
WC l
Total (tracked) water content of gas

Equilibrium water content of gas
Free water content
[g/m3 std. dry]

[g/m3 std. dry]
[g/m3 std. dry]
64
IC
Total (tracked) inhibitor content of gas
[g/m3 std. dry]
MC v ( p, T ) Methanol losses to the hydrocarbon phase
g/m 3std.
amount of methanol vaporized into gas per 1%
% wt. methanol in free water

wt. of methanol in solution with free water
An approximation built upon the classic chart of MC v ( p, T ) published by Campbell is

currently used:
b1
MC = 1, t , t b2
b
3
v
b4
b5
b6
b7 1
b8 log p
b9 log 2 p
Here
MC v ( p, T )
Methanol losses to the

hydrocarbon phase
t
p
Temperature
Pressure
g/m 3 (101.325 kPa, 15C )
% wt. methanol in free water

[C]
[bar]
Hammerschmidt equation is reported to be accurate to certain upper limit of the inhibitor

fraction (30% for methanol and 50% for glycols). Therefore the value of Th is limited to the
corresponding maximum.
12.5.
Risk indicators
The results of the equilibrium analysis over pipe element are derived from the detailed
internal temperature profile used by the SIMONE Heat Dynamics module (see chapter 5). The
following parameters show, how far the local gas condition are from the equilibrium ones. For
each pipe element the worst case, i.e. minimum of these sub cooling values over the element
length, is stored:
Gas sub cooling with respect to water dew point temperature:

DTDP = min (T Td )
[0; L ]
Gas sub cooling with respect to hydrate equilibrium temperature:

DTHE = min (T Th )
[0; L ]
Gas sub cooling with respect to the three-phase equilibrium boundary temperature:
DTHF = min (T min (Td , Th ))
[0; L ]
Here
65
Pipe length
[m]
Longitudinal coordinate [m]
Note: If the profiles of all temperatures along the pipe element are monotone (what the most
frequent case), these three indicators show only two different values:
DTHF = max(DTDP, DTHE )
However the monotonicity of all profiles along pipe element is generally not guaranteed
(assume for example the possibility of a batch of gas of different water content moving
inside the pipe element), so all three indicators have to be stored.

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SIMONE

SIMONE Research Group s.r.o. & LIWACOM Informationstechnik GmbH

SIMONE Equations and methods

SIMONE Research Group, s.r.o.

SIMONE Equations and Methods

Gauge pressure for low-pressure networks ................................................................ 7

2. Flow equations ....................................................................................................................... 8

Continuity equation .................................................................................................... 8

Momentum equation .................................................................................................. 8

Comparison of Hofer and Nikuradze formulae................................................ 10

3. Equation of state for real gas................................................................................................ 13

AGA (American Gas Association)........................................................................... 14

Papay formula .......................................................................................................... 15

BWR equation .......................................................................................................... 16

Simple fluid approach ...................................................................................... 16

Full mixing rules .............................................................................................. 17

AGA8 DC92 equation.............................................................................................. 18

Thermodynamic properties of real gas..................................................................... 18

Specific heat ..................................................................................................... 18

Isentropic exponent .......................................................................................... 19

Calculation of gas properties using gas composition ............................................... 21

LIWACOM Informationstechnik GmbH

SIMONE Equations and methods

Conversion of molar to volumetric fractions and vice versa ........................... 23

Gas viscosity ............................................................................................................ 23

Equation Lee64 ................................................................................................ 24

Equation Lee66 ................................................................................................ 24

4. Quality Tracking .................................................................................................................. 25

Solution procedure ................................................................................................... 25

Quality parameters ................................................................................................... 26

Mixing rules ............................................................................................................. 26

5. Heat Dynamics ..................................................................................................................... 29

Differential Equations .............................................................................................. 29

Heat Transfer Coefficient in SIMONE .................................................................... 31

Suppressing Joule-Thomson effect for pipes ........................................................... 33

Basic thermodynamics relations............................................................................... 34

Pressure ratio .................................................................................................... 34

Adiabatic efficiency ......................................................................................... 34

Shaft power ...................................................................................................... 34

Isentropic exponent .......................................................................................... 36

Volumetric flow rate ........................................................................................ 37

Centrifugal compressor ............................................................................................ 37

Reciprocating compressor ........................................................................................ 38

Gas turbine ............................................................................................................... 39

SIMONE Research Group, s.r.o.

SIMONE Equations and Methods

Gas engine ................................................................................................................ 39

Electro drive ............................................................................................................. 40

Steam drive (combined cycle).................................................................................. 41

Local pressure loss ................................................................................................... 42

Valves with characteristic ........................................................................................ 43

Local pressure loss ................................................................................................... 45

State reconstruction in SIMONE.......................................................................... 51

Outlying Measured Data ...................................................................................... 52

State Reconstruction Parameters.......................................................................... 52

Tools for Scanning State Reconstruction ............................................................. 53

11. Steady-State Optimization.................................................................................................. 55

Objective Function ............................................................................................... 55

SIMONE Method of Steady-State Optimization ................................................. 55

12. Hydrate formation risk analysis ......................................................................................... 57

Equilibrium condition .......................................................................................... 57

Water dew point ................................................................................................... 58

LIWACOM Informationstechnik GmbH

SIMONE Equations and methods