A computational approach to estimating activity coefficients using Gibbs energy minimization

DOI10.1007/978-3-030-87966-2_80MaRDI QIDQ5054522zbMATH OpenOpenAlexFDO

Authors Roman S. Voronov, Anton Shabaev, F. P. Vasil'ev

Publication date 29 November 2022

Published in Lecture Notes in Control and Information Sciences - Proceedings (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-030-87966-2_80

zbMATH Keywords

activity coefficientschemical equilibriumconditional optimizationGibbs free energyLagrange method

Mathematics Subject Classification ID

Inverse problems in thermodynamics and heat transfer (80A23) Chemically reacting flows (80A32) Optimization problems in thermodynamics and heat transfer (80M50) Convex programming (90C25)

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Cites work

• Convergence of the equilibrium code SOLGASMIX
• Reduction of a Minimization Problem of a Separable Convex Function Under Linear Constraints to a Fixed Point Problem

Cited in

(3)

• Assessment of Activity Coefficient Models for Predicting Solid−Liquid Equilibria of Asymmetric Binary Alkane Systems
• Computing the Minimal Rebinding Effect Included in a Given Kinetics
• A new approach to calculating activity coefficients in a wide range of electrolyte concentration

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