Nonsmooth differential-algebraic equations in chemical engineering
Author(s)Stechlinski, Peter; Patrascu, Michael; Barton, Paul I
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This article advocates a nonsmooth differential-algebraic equations (DAEs) modeling paradigm for dynamic simulation and optimization of process operations. A variety of systems encountered in chemical engineering are traditionally viewed as exhibiting hybrid continuous and discrete behavior. In many cases such discrete behavior is nonsmooth (i.e. continuous but nondifferentiable) rather than discontinuous, and is appropriately modeled by nonsmooth DAEs. A computationally relevant theory of nonsmooth DAEs (i.e. well-posedness and sensitivity analysis) has recently been established (Stechlinski and Barton, 2016a, 2017) which is suitable for numerical implementations that scale efficiently for large-scale dynamic optimization problems. Challenges posed by competing hybrid modeling approaches for process operations (e.g. hybrid automata) are highlighted as motivation for the nonsmooth DAEs approach. Several examples of process operations modeled as nonsmooth DAEs are given to illustrate their wide applicability before presenting the appropriate mathematical theory.
DepartmentMassachusetts Institute of Technology. Process Systems Engineering Laboratory
Computers & Chemical Engineering
Stechlinski, Peter et al. "Nonsmooth differential-algebraic equations in chemical engineering." Computers & Chemical Engineering 114 (June 2018): 52-68 © 2017 Elsevier Ltd.
Author's final manuscript
General Chemical Engineering, Computer Science Applications