化学反应的热动力学方程及其应用

Derivation and Application of Thermodynamic Equations

材料学、电子学和计算机技术促进了微量热计对“动态热化学”的研究,该原理被应用于RD496-Ⅲ型微量热计中,由其得到的热动力学数据,依物理化学的基本原理可推导出等温等压下不可逆化学反应的热动力学研究方程,从中可简便地求出所研究反应的热动力学参数(活化焓、活化熵及活化自由能),速率常数和动力学参数(表观活化能、指前因子及反应级数),并以实验示例说明其应用。

The study on dynamic thermochemistry for the chemical reaction with microcalorimeter have been accomplished by the combination of materials, electronics andcomputer technology improvements, which is displayed in RD 496Ⅲtype microcalormeter. Thermodynamic equations have been derived from the principle of physical chemistry and the detrmination results on thermochemistry for non reversible reactions at the constant temperature and pressure. On the base of thermodynamic equations, thermodynamic parameters (the activation enthalpy, the activationentropy and the activation free energy), the rate constant, kinetic parameters (the activation energy, the pre exponential constant and the reaction order) are procured.