化学动力学中活化能与反应热和活化焓关系的研究

对均相系统的元反应动力学提出了统一的热力学计算方法。在用物质浓度随时间的变化率表示反应速率的情况下，以标准平衡常数和微观可逆性原理为基础，导出了元反应的速率系数与平衡常数的关系，进而得到活化能与反应热的精确关系。并解释了活化能为什么与反应温度有关。通过指定活化热力学函数的意义，对传统的过渡状态理论表示式进行了修正，并导出元反应的活化焓与活化能的关系。

Relations of reaction heat-activation energy and activation enthalpy-activation energy in chemical dynamics

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.