Computation of phase and chemical equilibria
1981; Elsevier BV; Volume: 5; Issue: 2 Linguagem: Inglês
10.1016/0098-1354(81)87005-6
ISSN1873-4375
AutoresJaime Castillo, Ignacio E. Grossmann,
Tópico(s)Chemical Thermodynamics and Molecular Structure
ResumoA new method is proposed for the computation of simultaneous phase and chemical equilibria by minimization of the Gibbs energy. A non-linear programming approach is used which enables one to determine the number and identity of phases at equilibrium, as well as the compositions of each component in each phase. Any thermodynamic model which predicts fugacities can be incorporated easily in this method. Numerical results of various systems that involve gases, liquids and solids are presented.
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