高等学校化学学报 ›› 1997, Vol. 18 ›› Issue (4): 581.

• 论文 • 上一篇    下一篇

化学反应动力学研究法──自函数回归法及其应用

曾宪诚1, 孟祥光1, 张元勤1, 陈民助1, 秦自明1, 胡启山2   

  1. 1. 四川大学化学系, 成都, 610064;
    2. 达县师范专科学校化学系, 达县, 635000
  • 收稿日期:1996-03-12 出版日期:1997-05-24 发布日期:1997-05-24
  • 通讯作者: 曾宪诚, 男, 57岁, 教授.
  • 作者简介:曾宪诚, 男, 57岁, 教授.
  • 基金资助:

    国家自然科学基金

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

ZENG Xian-Cheng1, MENG Xiang-Guang1, ZHANG Yuan-Qin1, CHEN Min-Zhu1, QIN Zi-Ming1, HU Qi-Shan2   

  1. 1. Department of Chemistry, Sichuan University, Chengdu, 610064;
    2. Department of Chemistry, Daxian Teachers'College, Daxian, 635000
  • Received:1996-03-12 Online:1997-05-24 Published:1997-05-24

摘要: 由完全非线性函数f(t)=A+Be-k1l+Ce-k2l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.

关键词: 自函数回归法, 化学反应动力学研究法, 一级反应热动力学, 皂化反应

Abstract: Aself-function recursion equation,fi=b1fi+1+b2fi+2 can be obtained after theperfect nonlinear funtion,f(t)=A+Be-k1l+Ce-k2l 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.Δ=A (e-k1l——e-kt.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.

Key words: Self-function regression method, Research method for kinetics of chemical reactions, Thermokinetics of the first order reaction, Saponification

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