Calculation algorithm for chemical equilibrium based on Gibbs energy minimization
Автор: Voronin A.V., Kuznetsov V.A., Shabaev A.I., Spirichev M.V., Vilaev D.G.
Журнал: Ученые записки Петрозаводского государственного университета @uchzap-petrsu
Рубрика: Физико-математические науки
Статья в выпуске: 6 (127), 2012 года.
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The article presents an algorithm for calculating thermodynamically equilibrated composition of the chemical system. The algorithm uses Gibbs energy minimization approach and is based on feasible directions method. The presented algorithm provides an optimal solution of high accuracy even for cases when other existing algorithms cannot find optimal solutions.
Chemical equilibrium, phase equilibrium, gibbs energy minimization, feasible directions method
Короткий адрес: https://sciup.org/14750197
IDR: 14750197
