An algorithm for simultaneous chemical and phase equilibrium calculation

A new generalized algorithm has been developed for solving simultaneous chemical and phase equilibrium equations of two-phase systems. By rearranging convergence loops of the algorithm of Sanderson and Chien (1973), this new approach shows improved robustness and speed. Solutions to the material balance and chemical equilibrium equations are obtained with an improved Marquardt method (Zhan, 1976). An esterification reaction and dissociation reactions of electrolytes in phase equilibrium are presented as examples.