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Unconstrained Gibbs minimization for solving multireaction chemical equilibria using a stochastic global optimizer
Author(s) -
Fateen SeifEddeen K.
Publication year - 2016
Publication title -
computer applications in engineering education
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.478
H-Index - 29
eISSN - 1099-0542
pISSN - 1061-3773
DOI - 10.1002/cae.21759
Subject(s) - robustness (evolution) , matlab , computer science , minification , simple (philosophy) , chemical equilibrium , scalability , mathematical optimization , phase equilibrium , mathematics , algorithm , chemistry , phase (matter) , programming language , biochemistry , philosophy , epistemology , database , gene , organic chemistry
This paper presents a simple method for solving multireaction chemical equilibrium problems via Gibbs Minimization through the use of a stochastic global optimizer. The method is explained at the level of upper‐undergraduate chemistry or chemical engineering students. Its matlab code is also presented and explained. Four examples with varying difficulties illustrate the versatility and robustness of the method, which is simple, general, and scalable and can be easily extended to simultaneous chemical and phase equilibrium problems. © 2016 Wiley Periodicals, Inc. Comput Appl Eng Educ 24:899–904, 2016; View this article online at wileyonlinelibrary.com/journal/cae ; DOI 10.1002/cae.21759