12/31/2020

Ali M. Sahlodin
Department of Chemical Engineering
AmirKabir University of Technology
1397 S.H

 Different hybrid modeling approaches

 Hybrid automata
 Optimization
 Nonsmooth modeling

 Now we hopefully know how to model a

particular process; let’s put the pieces
together

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 2

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Plant-wide Process Simulation

https://www.cocosimulator.org/index.html

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 3

 Analysis, Synthesis, and Design of

Chemical Processes
 Turton, R., Bailie, R.C., Whiting, W.B., Shaeiwitz,
J.A., Debangsu Bhattacharyya , 4th Edition,
Prentice-Hall International Series in the Physical
and Chemical Engineering Sciences, 2012.
Chapters 13, 16-17

 Systematic Methods of Chemical
Process Design
 Lorenz T. Biegler, Ignacio E. Grossmann , Arthur W.
Westerberg

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 4

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 Steady-state (S-S) simulation

 Different solution methods
 Software packages

 Dynamic simulation
 Different solution methods
 Software packages

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 5

 Sequential-modular (SM)
 Units solved in sequence to calculate their outputs

 Equation-oriented (aka simultaneous) (EO)

 Whole flowsheet is solved simultaneously

 Simultaneous Modular
 A combination of SM and EO

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 6

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Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 7

 Idea
 partition the model into independent blocks
(modules)
 Solve the modules in sequence

Unit A Unit B Unit C Unit D

Inputs required
•Inlet stream to each unit
•Unit parameters

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 8

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 Unidirectinal
 Completely specified inlets

 Bidirectional

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 9

 Thermodynamic package

 Unit operations

 Design blocks (controllers)

 Calculators

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 10

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 Property package
 Antoine
 Peng-Robinson
 NRTL
 UNIQUAC
 …

 Flash calculation routines

 PT flash
 UV flash
 PH flash

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 11

Eric C. Carlson, Aspen Technology, Inc. CHEMICAL

ENGINEERING PROGRESS • OCTOBER 1996

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 12

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 Valves
 Heat exchangers
 Heaters/coolers
 Columns
 Streams(!)
 User-defined (custom) units
…

Each unit is implemented as one or a collection of computer programs

(subroutines or classes)

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 13

 What if a unit operation does not exist in the

simulator?
 Membrane process, solid processing, new distillation
technologies (DWC), etc.
 Develop custom model
 Built-in simulator capabilities
 Fortran, Visual Basic, C++, Python
 Excel linking
 ACM (Aspen Plus)
 CAPE-Open capabilities
 Standard for inter-simulator model portabilty
 Supported in COCO, DWSIM, HYSYS, Aspen Plus

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 14

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Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 15

Model coded in Scilab

Model can be ported to other simulators via CAPE-OPEN standards

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 16

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 Setof required inputs as imposed by the developer

 Subroutine calculations may be straightforward or
require iterations (examples?)

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 17

 Design block
(controllers): enforce
design specifications by
adjusting another
process variable

 Calculator
(spreadsheet):
spreadsheet calculations
on process variables
Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 18

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