On linear programming approach for the calculation of chemical equilibrium in complex thermodynamic systems

DOI10.1007/S10910-009-9580-YMaRDI QIDQ848167zbMATH OpenOpenAlexFDO

Authors N. E. Zubov

Publication date 2 March 2010

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-009-9580-y

zbMATH Keywords

mathematical modelingchemical equilibriumthermodynamic systems

Mathematics Subject Classification ID

Linear programming (90C05) Applications of mathematical programming (90C90) Chemistry (92E99)

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Cites work

• A Duality Theorem for Convex Programs
• A linear programming approach to the chemical equilibrium problem
• Primal-dual active-set algorithm for chemical equilibrium problems related to the modeling of atmospheric inorganic aerosols

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(11)

• Modelling and simulation of phase equilibrium in dynamic systems
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• A computational approach to estimating activity coefficients using Gibbs energy minimization
• Computing complex chemical equilibria by generalized linear programming
• Chemical equation balancing: an integer programming approach
• scientific article; zbMATH DE number 2215924 (Why is no real title available?)
• OR Practice—Solving Complex Chemical Equilibria Using a Geometric-Programming Based Technique
• Finding complex balanced and detailed balanced realizations of chemical reaction networks
• Algorithm for calculating chemical reaction feasibilities under given thermodynamic conditions
• A methodology for solving chemical equilibrium systems

Describes a project that uses

Uses Software

• Perple_X
• IVTANTHERMO

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