求解多组分化学相平衡的一种通用算法

A general algorithm for simultaneous chemical and phase equilibrium

基于Gibbs自由能最小原理,提出一种求解多组分化学相平衡的通用算法——混沌-蒙特卡罗混合算法。分别介绍了该算法的计算步骤和关键性能参数。多个计算实例表明,本文提出的方法可以不断拓展解的空间,避免假收敛,能以完全概率、高速并行搜索到全局最优解。

Chaos-Monte Carlo algorithm（CMCA） as a general algorithm for solving simultaneous chemical and phase equilibrium was proposed based on minimization of Gibbs free energy. The calculating procedure and key run parameters were introduced. Calculated results showed this method can enlarge the solution space continually and avoid unture convergent. It can obtain a global optimization solution with good convergent probability and high-speed.