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INDEX
1.- Analysis of the inputs effect on the outputs.
2.- Methodology for process analysis: Material and energy balances.
3.- Basic Ideas to develop LINEAR MASS BALANCES (LMB) models.
4.- Develop of LMBs.
5.- Case Study: Application of LMB algorithm and setting pressure and
temperature levels in flowsheet.
6.- Heat Balances.
7.- Further Reading and References.
3
1.- Analysis of the inputs effect on the outputs
Two categories of relationships
1.- Relationships independent of the equipment
Independent of the equipment specifications
BM / BE / Equilibrium / Kinetic
2.- Relationships dependent of the equipment
Design equations with equipment specifications:
- Heat transference equation (with Area value)
- Frictional pressure relationships (with D, Le)
4
2.- Methodology for process analysis: Material and energy
balances.
Analysis methodology to apply on the synthesized
flowsheets
- Simples
- Fast
- Useful to the preliminary design
Mass balances Systematic modeling with
Energy balances different degree of rigorousness
5
2.- Methodology for process analysis: Material and energy
balances.
Once we synthesize flowsheet, we must do mass and energy
balances to analyze its PERFORMANCE and to SIZE equipment
for economic evaluation
2.1.- Equation Oriented
Write al equations that describe the process and solve them
simultaneously.
Equations: Material balances
Equilibrium relations
Kinetic expressions
Enthalpy balances, etc.
Need solve 100s equations with Newtons
Software: gPROMS, GAMS, EXCEL, ASPEN equations
6
2.2.- Sequential Modular
Solve for input streams in each unit at the flowsheet
following the information flow. For each module, compute
outlet from given inlet.
1.Calc. COMP 2
2.Guess stream 6
3.Calc. MIX 3
4.Cal. RXN 4
5.Cal. FLASH 5, 6
6.If stream 6 is similar 6 STOP, otherwise return to step 2
More robust, but less flexible
Software: ASPENPLUS, PRO-II, HYSYS, UniSIM
COMP MX RXN FLASH
1 2
3
6
6
5
4
7
3.- Linear Mass Balances (LMB) models
Basic Ideas to develop LMB Fix levels at P, T in flowsheet to derive
linear approximations at mass balances in each unit.
1.- Fix P and T levels in flowsheet. Specify recoveries, split fractions key
components, conversion per pass, recycle ratios (Degrees Freedom-d.f.)
2.- Approximate each unit with (fracciones divididas) (Split Fractions)
(e.g. , in flash unit; , , , , in absorber) to relate linearly output molar flow
with inputs
3.- Set up linear equations and solve for molar flows at each component
4.- Recalculate P, T in flowsheet with equilibrium equations
* If there are not big changes go to the step 5.
* If there are big changes go to step 2.
* If process does not meet specifications (e.g. equil. of DEE), change the
values of the d.f. or modify flowsheet structure returning to step 2.
5.- Perform heat balances (heating + cooling utilities). Perform Heat
integration at this stage. Idea Decouple mass and heat balances
8
SIZING
COSTS
Specify split
fractions of the key
components
Global mass
balance
) (
in out
=
P , T specify
P and T
Determine coefficients
for linear models in
each unit:
k/n
, , ,
Specifications and/or
restrictions
Fenske, Kremser, Antoine
equations
Equilibrium equations
(Bubble point, dew point)
T, P restrictions
LMB algorithm
9
3.- Linear Mass Balances (LMB) models
ASSUMPTIONS
- L and V streams with ideal equilibrium relationships
- Saturated streams
- Linear equations simple to solve tearing
- Convergence in few interactions (2)
- Use basis at 100 gmol/s feed and calculate scale up factor to meet
required production
Approximations for following modules
1) Mixer Not real or physically equipments. Could be junctions.
2) Splitter
3) Reactor
4) Flash Linear in terms of split fractions
5) Distillation
6) Absorption and Stripper Associated (MEA Process)
There are many other equipments as Adsorption, pervaporation, fermenters, etc.
10
Simplifications and approximations Shortcut methods smaller problem
MAIN CHARACTERISTICS:
- Ideal solutions. Saturated streams. Ideal thermodynamic behaviour
- Process units calculations Linear equations

= == =
l
k
j i
k
Mixer
l l
,

k
j i
1 1
,

k
j i 2 2,

k
M
M
k
in j
k
j Splitter
= == =
,
k
in
NS
j
j
k
NS Spitter
) 1 (
1
1
,

= == =
= == =
k
in

k
S1

k
S 2

S
k
IN

k
R

R
k
IN

k
F 1

F
k
F 2

in k
k
F
=
1
in
k
k
2 F
) 1 ( =

= == =
+ ++ + = == =
NR
r
r l
in r k r
k
in
k
actor
1
) (
, Re

Mixer
Splitter
Reactor
Flash
Linear coefficients
Split fraction
Split fractions
Conversion
Stoichiometric
coefficients
------
4.- Develop of (LMB) models
11
Distillation
Absorption
R dew R bub c dew c bub
T T T T
, , , ,

Hk Lk
Hk
Hk
Lk
Lk
m
N
/
ln /
1
ln

+
=
Hk
Nm
Hk k
Hk
Nm
Hk k
k

) 1 ( 1
/
/
ABS
VN
L0 V1
LN
) ln( /
) 1 (
) (
ln
1 0
1 0
n
E
n
N
n n
E
n
n
N
n
E
n n
A
v r A l
v A r l
N

+
=
+
+
k
in k
k
D
=
k
k
N
k
N
k
N
k
N
k
l v v
0
1
1 1
1

+
+
+ =
k k k
N
k
N
v l v l
1 0 1
+ =
+
k
in k
k
B
) 1 ( =
) ( 1
) ( 1
1
k
E
N k
E
k
N
A
A

=
+

) ( 1
) ( 1
1
k
E
N k
E
k
N
A
A

4.- Develop of LMB models

12
5.- CASE STUDY: Application of LMB algoritm and setting
pressure and temperature levels in flowsheet
OBTENTION OF ETHANOL
Establish levels of P, T in PFD
Specify recoveries, splits key components. Fixed the recycle rate (specify d.g).
Determine coefficients linear models
Calculate
k/n
,
k
, A
E
, , etc. Based on Antoine equation.
Set-up linear equations and solve for flowrates of each component. Solving
equations of PFD by sequential approach
Calculate P, T through flowsheet
If the guesses different step 1 return to step 2
If process does not meet specifications either change recoveries (e.g. the
recycle rate is too low) or modify flowsheet (e.g. need a 2
nd
flash unit to obtain
the NH3 purity need)
Heat Balances (Heating steam- and Cooling water- utilities)
Memo 2 is to calculate a mass and energy balance for a specified process flowsheet
13
6.- Heat Balances
ENTLAPHIES: H (P,T ,z
k
) [J/gmol]
- Reference state is necessary for the calculations.
Ideal Gas, P
0
=1atm, T
0
=298 K
- Assume elemental species
- Assume ideal behaviour reflect effects of P and mixing (specially
in the liquid phase)
GAS MIXTURES
LIQUID MIXTURES
) ( ) , (
0
0 0
dT C f H y y T H
T
p k
k
k v
k

+ =
[ ] ) ( ) , (
0
0 0
T H dT C f H x x T H
k
v
T
p k
k
k L
k
+ =

by Watson correlation in function

of Tb, Tc, and Hvap(Tb)
C
pk
as function of T by heat
capacity coefficients Ak,Bk,Ck, Dk
Constants for each k
Handbook
values
(Perry,2008;
Poling et al.,
2000)
14
7.- Further Reading and References
Biegler, L., Grossmann, I., Westerberg , A., 1997, Systematic Methods of Chemical
Process Design, Prentice Hall.
Green, D., Perry, R., 2008, Perry's Chemical Engineers' Handbook. 8
th
edition.
McGraw-Hill.
Kent, 1992, Riegels Handbook of Industrial Chemistry.
Lide, D., Ed., 1997, CRC Handbook of Chemistry and Physics. CRC Press.
McKetta, J., Ed. 1993, Chemical Processing Handbook. Marcel Dekker.
Poling, B., Prausnitz, J., O'connell, J., 2000, The properties of gases and liquids. 5
th
edition. McGraw-Hill.
Treybal, R., 1980, Mass Transfer Operations. 2
nd
Ed. McGraw Hill.
Woods, D., 1995, Data for Process Design and Engineering Practice. Prentice-Hall.