摘要
基于最小自由能法 ,给出了一种适用于复杂的非理想、气液固三相共存、电解液或非电解液混合物的相平衡通用计算方法。根据热力学基本关系式 ,在多组分体系中元素和电荷守恒的约束条件下 ,最小化吉布斯自由能 ,通过SQP方法来解此有约束的非线性优化问题 ,通过迭代法求解反应后的温度。平衡计算结果包括温度、密度、组分浓度等。某新型热动力系统中采用的Li/SF6高能液体金属燃料 ,应用本文方法 ,获得了相平衡计算结果。
A general computational method, which can be used to calculate complex chemical equilibrium of non-ideal, multiphase, electrolytic or non-electrolytic mixtures, is given according to the principle of minimization of free energy. On the basis of the fundamental thermodynamics relations, the Gibbs free energy was minimized under the constraint condition of the conservation law of elements and charges in a multi-element system, and SQP (Sequential Quadratic Programming) method was used to solve the nonlinear constrained optimization problem. The temperatures of mixtures were evaluated by iteration method. The temperature, density, and concentration as the functions of the mixture fraction can be obtained. The method has been applied to the equilibrium computation of a liquid metal fuel combustion.
出处
《兵器材料科学与工程》
CAS
CSCD
2002年第6期8-11,共4页
Ordnance Material Science and Engineering
