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Article information
2011 , Volume 16, ¹ 2, p.45-54
Zaika Y.V.
Algorithm of Gibbs energy minimization: Computation of chemical equilibrium
A computational algorithm of Gibbs energy minimization for determination of structure of a mixture in chemical equilibrium is proposed. The algorithm is also suitable in the case of multiphase systems. Particular attention is given to critical cases when optimization methods based on the gradient and Hessian techniques are not efficient
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Keywords: numerical methods of constrained optimization, Gibbs free energy, chemical equilibrium
Author(s):
Zaika Yury Vasilievich
Dr. , Professor
Position: Head of Laboratory
Office: Institute of Applied Math. Research Karelian Research Centre,
Address: 185910, Russia, Petrozavodsk
Phone Office: (8142)776312
E-mail: zaika@krc.karelia.ru
Bibliography link:
Zaika Y.V. Algorithm of Gibbs energy minimization: Computation of chemical equilibrium // Computational technologies. 2011. V. 16. ¹ 2. P. 45-54
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