Calculation of chemical equilibria in heterogeneous multicomponent systems
作者： Petr Voňka , Jindřich Leitner
DOI: 10.1016/0364-5916(95)00004-X
关键词: Process (computing) 、 Applied mathematics 、 Chemical stability 、 Multicomponent systems 、 Chemical equilibrium 、 Iterative and incremental development 、 Mineralogy 、 Convergence (routing) 、 Chemistry
摘要: Abstract A technique has been developed for the calculation of chemical equilibrium a closed multicomponent heterogeneous system given values temperature, pressure and feed composition. The method is based on consecutive exclusion inclusion phases from into process till thermodynamically stable with respect to not included in system. Thermodynamic stability tested using Kuhn-Tucker condition. Proof convergence proposed iterative given, allowing test validity condition be made. Convergence whole also discussed.
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