12/22/2020

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

 Sensitivity
in hybrid systems
 Continuous/discontinuous sensitivities
 Phase equilibrium problems

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

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 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.

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

 Hybrid Automaton Framework

 Whatever we have discussed so far!

 Optimization-based Modeling Framework

 Nonsmooth Framework

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

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 Invariant set of equations

 Variant set of equations

 Union of active states of

the finite automata AND
invariant equations
Paul’s Barton thesis

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

 Single-component Flash (P=const.)

Stechlinski et al. (2018) Comp & Chem Eng.

 Simulationstalled between Modes 1 & 2.

 Any workarounds?

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

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 Multi-component flash
 Change in Model Dimensions!

Aspen Plus®

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

Aspen Plus®

Equilibrium relations Not Change in no. of equations

applicable to single phase and variable

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

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Aspen Plus®

Paul Barton’s Thesis

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

Paul Barton’s Thesis

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

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 (Artificially) discontinuous behaviors

 Problematic for
 Simulation
 Sensitivity analysis
 Optimization

 Limited theory for sensitivity analysis of

discontinuous dynamic systems (Galan et. Al 1999)

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

 Do not remove the equilibrium equation

 Instead, relax it when one phase disappears.
 Idea: Gibbs-free energy minimization

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

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 Steady-state case

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

 Formulation not trivial

 Optimization required
 Computationally costly (overkill!)
 Convergence problems
 Possibility of local optima

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

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 Piecewise continuously differentiable functions

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

 The mid (middle-value) function

Mid(a,b,c)=a+b+c-min(a,b,c)-max(a,b,c)

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

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 Choked flow

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

 Single-component case

Disjunctive constraints

Compact form

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 18

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 Single-component case

Stechlinski et al. (2018)

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 19

 Multi-component case
 Steady-state case

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 20

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 Dynamic case (Sahlodin et. al 2016)

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 21

 Gibbs-free energy minimization

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 22

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Benzene-toluene-nitrogen
Evaporator entirely filled with nitrogen initially
Temperature increased directly (no energy balance)
Constant pressure

Sahlodin et. al (2016), AIChE Vol. 62, No. 9

Appearance of liquid due to incoming

benzene-toluene mixture
Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 23

 Compositions

Fictitious liquid
compositions!

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 24

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 Benzene-Toluene 50-50%

Sahlodin et. al (2016), AIChE Vol. 62, No. 9

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 25

Copyright © Ali M. Sahlodin, Dept. of Chemical Engineering, AmirKabir Univ. of Tech. 26

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