高等学校化学学报

高等学校化学学报 ›› 2003, Vol. 24 ›› Issue (9): 1572.

• 论文 • 上一篇    下一篇

未知动力学模型的化学反应过程的解析

朱仲良, 赵怡, 程文治, 李通化   

  1. 同济大学化学系, 上海 200092
  • 收稿日期:2002-03-20 出版日期:2003-09-24 发布日期:2003-09-24
  • 通讯作者: 朱仲良(1962年出生),男,硕士,副教授,从事动力学分析及化学计盘学研究.E-mail:zhuzl@ongji.edu.cn E-mail:zhuzl@ongji.edu.cn
  • 基金资助:

    国家自然科学基金(批准号:29975019);同济大学理科科技发展基金

Resolution of Chemical Reaction Process with Unknown Kinetic Model

ZHU Zhong-Liang, ZHAO Yi, CHENG Wen-Zhi, LI Tong-Hua   

  1. Department of Chemistry, Tongji University, Shanghai 200092, China
  • Received:2002-03-20 Online:2003-09-24 Published:2003-09-24

PDF (PC)

被引次数

10

摘要： 采用迭代目标转换因子分析法(ITTFA)解析动力学模型未知的化学反应过程中的动力学-光谱数据矩阵,获得了各组分的动力学谱.基于体系中各组分间的等吸收点等光谱特征,提出并建立了一种新的初始迭代矢量的方法.利用该方法解析了动力学模型未知且各组分均有吸收的两步连续反应的模拟数据矩阵,并对最终产物无吸收的水杨酸水溶液电降解反应过程中测得的数据矩阵进行解析,获得了可靠的结果.

关键词: 迭代目标转换因子分析, 动力学-光谱二维数据, 等吸收点, 未知动力学模型, 水杨酸的电降解

Abstract: Iterative target transformation factor analysis was applied to resolve the kinetic-spectral data matrix monitored in the process of spectroscopic reaction of unknown kinetic model and the kinetic spectrum of each component is obtained. Anovel approach was proposed to estimate the initial vectors based on the spectral features such as the isoabsorptive point of the relative component in the system. With the proposed approach, the simulated data matrix for a two-step consecutive reaction in which every component had absorption were successfully resolved. The data matrix measured in the electrodegradation process of salicylic acid, in which the final product has no absorption, can also be resolved with a satisfying result.

Key words: Iterative target transformation factor analysis(ITTFA), Two-way kinetic-spectroscopic data, Isoabsorptive point, Unknown kinetic model, Electrodegradation of salicylic acid

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