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®
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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
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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
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Compositions
Fictitious liquid
compositions!
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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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