多相平衡计算的元素势法及其应用

Element potential method and its application for multi-phase equilibrium calculation

针对冶金化工领域中多相反应体系的高效可靠计算问题，基于最小吉布斯函数原理和质量守恒定律，通过引入拉格朗日因子λe，运用元素势概念，推导基于元素势的多相平衡计算方法。结果表明：酯化反应多相复杂体系平衡计算结果与文献值吻合很好，铜造锍熔炼过程多相平衡计算结果与生产实践数据之间的误差小于6％；该方法具有求解速度快，且在计算过程中不会出现负摩尔分数，说明此研究方法对求解复杂冶金化工多相平衡问题是有效可行的。

For the efficient and reliable calculation of multi-phase reaction system in metallurgical and chemical fields, the element potential method for multi-phase equilibrium calculation was deducted based on the least Gibbs function principle and the conservation of mass, by introducing Lagrange factor λe and the concept of element potential. The calculation results show that the calculation values of esterification multi-phase equilibrium system are in good agreement with the reported values, and the errors are less than 6% between practical data and calculation values in the copper smelting process. The calculation speed of this method is fast, and there is no negative mole fraction in the calculation process. It＇s proved that this method is feasible and effective to solve the complex metallurgical chemical multi-phase equilibrium problem.