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基于Gibbs自由能最小化原理,提出用遗传算法计算易挥发弱电解质体系化学及相平衡问题。首先建立了易挥发弱电解质体系Gibbs自由能的计算模型,将含化学反应平衡和相平衡计算问题转化为有约束的最优化问题．并应用遗传算法求解；其次在算法实施时提出两点改进,即通过对优化变量采取动态边界的可行域编码方法来处理问题约束和引入反应平衡常数来提高低含量组分的计算精度；最后对两个算例进行了计算。计算表明,本文计算结果与文献值相吻合,并且简单易实施,是这类问题计算的有效方法。
Based on the Gibbs free energy minimization principle, a genetic algorithm is proposed to calculate the chemical and phase equilibrium of the volatile volatile weak electrolyte system. First, the calculation model of Gibbs free energy for a weakly volatile weak electrolyte system is established, and the problem of chemical reaction equilibrium and phase equilibrium calculation is transformed into a constrained optimization problem. And then apply genetic algorithm to solve them. Secondly, two improvements are proposed when the algorithm is implemented. That is to say, the feasible constraints of dynamic variables can be used to deal with the problem constraints and introduce the reaction equilibrium constants to improve the computational accuracy of low content components. Finally, Two examples were calculated. The calculation shows that the calculation results in this paper are consistent with the literature values and simple to implement, which is an effective method for calculating such problems.