应用化学 ›› 1983, Vol. 0 ›› Issue (1): 40-46.

• 研究论文 • 上一篇    下一篇

按独立组元计算复杂化学平衡的方法

赵慕愚1, 徐宝琨2   

  1. 1. 吉林大学化学系;
    2. 吉林大学电子科学系
  • 收稿日期:1983-04-19 出版日期:1983-12-10 发布日期:1983-12-10

CALCULATION OF COMPLEX CHEMICAL EQUILIBRIA BY THE METHOD OF INDEPENDENT COMPONENTS

Zhao Muyu1, Xu Baokun2   

  1. Jilin University, Changchun
  • Received:1983-04-19 Published:1983-12-10 Online:1983-12-10

摘要: 本文通过分析独立组元的本质,提出了一个按独立组元来计算复杂化学平衡的方法。这个方法中的未知数和方程数比现有的自由能最小化法、质量作用方程组的方法和反应进度的方法中的未知数和方程数显著减少,因而计算过程大为简化。例如,对于计算一个由3个元素10个组元组成的复杂化学平衡体系来说,若采用其它方法须用电子计算机,而采用独立组元法仅须使用袖珍可编程序计算器即可完成。本文叙述了独立组元法的基本原理和具体方法,并根据理论分析和计算实践,将独立组元法与其它方法的优劣作了对比。

Abstract: We derived a method for the calculation of complex chemical equilibria by using the independent components. The number of unknowns and the number of independent equations for this method are obviously less than those used in the method for the minimization of free energy, the method for the mass action equations and the method based on calculating extents of reactions. By this simple method a pocket programmable calculator e. g. TI-59 is sufficient to cal-culate a complex chemical equilibrium system containing three elements which form 10 chemical components but for the same system a computer must be used by other methods. The basic principle and concrete procedure of the method are presented in this paper. The superiority of the method to others according to theoretical con-sideration and computing practice is also discussed.