A Combined Algorithm for Stability and Phase Equilibrium by Gibbs Free Energy Minimization

详细信息    查看全文

• 作者：Satok Chaikunchuensakun ; Leonard I. Stiel ; and Ernest L. Baker
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2002
• 出版时间：August 7, 2002
• 年：2002
• 卷：41
• 期：16
• 页码：4132 - 4140
• 全文大小：108K
• 年卷期：v.41,no.16(August 7, 2002)
• ISSN：1520-5045

文摘

A new algorithm is presented for the calculation of multiphase equilibrium conditions at fixedtemperature, pressure, and overall composition. The method enables the simultaneous analysisof phase stability and equilibrium compositions for coexisting phases by the minimization ofthe Gibbs free energy of the system. The Lagrange multipliers for the test phases, which areprovided by the optimization routines utilized, are additional variables indicating the feasibilityand potential for the formation of the phases. The approach of this study is illustrated for thephase behavior of several systems.