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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。
In order to calculate the heat capacity of the chemical reaction system accurately and accurately, the heat capacity calculation method of the chemical reaction equilibrium system in the ideal mixture is established based on the progress of the reaction. Based on the properties of partial molar quantities and the basic thermodynamic relationship, the formulas for calculating the constant pressure heat capacity and constant volume heat capacity of the chemical reaction equilibrium system are derived. Taking hydrogen iodide gas phase synthesis reaction as an example, it shows how to calculate the equilibrium reaction progress from the equilibrium constant of chemical reaction, and then calculate the constant pressure heat capacity and constant volume heat capacity. The calculated results are compared with the traditional average heat capacity, and the two are in good agreement. The calculation and analysis show the validity and practicability of the formula given in this paper.