Calculation of Complex Equilibrium with an Unknown Number of Phases

Abstract

An extension of Brinkley's generalized procedure is proposed for calculating the equilibrium compositions of complex systems in which several phases are possible but their actual number and identities at equilibrium are not known a priori. In contrast to other methods, the present method eliminates the trial and error associated with presence or absence of phases. Thus, little computational effort is required beyond that expended when the number and identities of all phases are known. The essential equations are given together with a description of the computational procedure.