化学反应动力学研究法──自函数回归法及其应用

Research Method for Kinetics of Chemical Reactions ──Self-function Regression Method and Its Applications

由完全非线性函数经变换得到自函数递推方程．根据回归分析理论，建立了一种化学反应动力学研究法──自函数回归法．应用该法在25℃水溶液中研究了乙酸乙酯和了酸乙酯的皂化反应的动力学常数．

A self-function recursion equation, can be obtained after theperfect nonlinear funtion, has been transformed. Through treatingthe self-function recursion equation with the theory of regression analysis, a novel researchmethod for the kinetics of chemical reactions, self-function regression method, has been de-veloped. This method can be applied not only to thermokinetic studies, but also to ultravio-let spectrophotometry for treating kinetics of complex reactions. As a result of treating ther-mogram equation of the first order reaction with Laplace transform, the thermogramequation can be expressed as . The rate constant of the first order reaction,k1, and the cooling constant of thermokinetic system, k, can be obtained at the same timewith the self-function regression method. In order to test the validity of this method, thesaponifications of ethyl acetate and ethyl butyrate have been studied at 25℃ in aqueous solu-tion. The rate constants calculated with this method are in agreement with th0se in litera-tures, and therefore the self-function regression method is correct in deed.