Parameter estimation in reactive systems subject to sufficient criteria for thermodynamic stability - Glass, Moll; Mitsos, Alexander (Chemical engineering science, 2019)
Keywords: (e)NRTL; (electrolyte) non-random two-liquid; (G)SIP; (generalized) semi-infinite program; (R)TPC; (reactive) tangent plane criterion; (V)LLE; (vapor-)liquid-liquid equilibrium; bilevel program; BLP; CEOS; Chemical equilibrium constant; cubic equation of state; Data regression; equality constraint; Extent-of-reaction; Gibbs free energy; ionic liquid; Karush-Kuhn-Tucker; KKT; LBD; LBP; least-square errors function; LICQ; linear independence constraint qualification; LLP; lower bound; lower-bounding problem; lower-level problem; mathematical program with equilibrium constraints; MINLP; mixed-integer nonlinear program; MPEC; NLP; nonlinear program; PDH; Pitzer-Debye-Hückel; Reactive tangent plane; UBD; UNIFAC; Universal Quasichemical Functional Group Activity Coefficients; upper bound; Pitzer-Debye-Hückel; (generalized) semi-infinite program; Reactive tangent plane; bilevel program; lower-bounding problem; least-square errors function; (electrolyte) non-random two-liquid; Data regression; Extent-of-reaction; cubic equation of state; lower-level problem; Gibbs free energy; equality constraint; upper bound; lower bound; mathematical program with equilibrium constraints; Karush-Kuhn-Tucker; ionic liquid; (vapor-)liquid-liquid equilibrium; nonlinear program; mixed-integer nonlinear program; (reactive) tangent plane criterion; Chemical equilibrium constant; linear independence constraint qualification; Universal Quasichemical Functional Group Activity Coefficients