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Ⅰ.通用化学平衡计算 与热化学数据库相联结,采用进度调整方法编制了多相多元体系的化学平衡计算程序。 本文在选取独立组元的算法上提出了改进,可以减少运算量。另外还扩展了程序的功能,使本程序在以下三种输入条件下都能计算,包括:(1)给定原子矩阵,各组元的标准吉布斯生成自由能及初始摩尔数;(2)给定一组独立化学反应的计量系数矩
I. General chemical equilibrium calculation and thermochemical database are combined, and the chemical balance calculation program of multiphase multivariate system is prepared by using the schedule adjustment method. In this paper, we propose an improvement on the algorithm of selecting independent components, which can reduce the computational complexity. It also extends the program’s capabilities to make this program computable under the following three input conditions, including: (1) the Gibbs free energy of formation and the initial moles for each set of elements for a given atomic matrix; (2) Given a set of independent chemical reaction of the moment of meridian