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针对无机盐-恒沸有机水溶液体系相平衡问题,提出用Gibbs自由能最小法计算。通过Pitzer理论与NRTL方程相结合来描述体系中各组分的活度系数,建立体系Gibbs自由能的计算模型,从而将相平衡计算转化为有约束的最小化问题,并应用遗传算法求解,进而得到体系平衡时的各相组成。以2个体系的相平衡计算为例,结果表明此方法可行有效,可为无机盐作盐析剂分离恒沸有机水溶液体系这一化工过程建立一定的理论基础和计算依据。
Aiming at the phase equilibrium problem of inorganic salt-azeotropic organic aqueous solution, Gibbs free energy minimum method is proposed. Through the combination of Pitzer theory and NRTL equation, the activity coefficient of each component in the system is described, and the Gibbs free energy calculation model is established, which transforms the phase equilibrium calculation into a constrained minimization problem and is solved by genetic algorithm Get the balance of the system when each phase composition. Taking the phase equilibrium calculation of two systems as an example, the results show that this method is feasible and effective, and can establish a theoretical basis and calculation basis for the chemical process of inorganic salt as a salting-out agent to separate azeotropic organic aqueous solution.