化学反应平衡系统的热容计算

为了方便精确地计算化学反应系统的热容，以反应进度为基础，建立了理想混合物中化学反应平衡系统的热容计算方法。利用偏摩尔量的性质和热力学基本关系式导出了计算化学反应平衡系统定压热容和定容热容的公式。以碘化氢气相合成反应为例，说明如何由化学反应的平衡常数计算平衡反应进度，进而计算定压热容和定容热容。计算结果与传统的平均热容进行比较，二者能较好的符合。计算分析表明了该文所给公式的有效性和实用性。

Calculation of heat capacities for chemical equilibrium system

In order to calculate conveniently and accurately the heat capacitres of chemical reaction system, a method was set up in terms of extent of reaction. The method of calculating is applicable to chemical reactions in ideal mixture. Expressions for the heat capacities at constant pressure and constant volume are found by means of partial molar quantities and thermodynamic relationships. Gas phase synthesis of hydrogen iodide was taken for example. The example showed how to calculate extent of reaction from equilibrium constant and to calculate the heat capacities at constant pressure and constant volume. The results of calculation were contrasted with mean heat capacities. The effect of these expressions derived in this paper was proved by the example analysis.