物理化学学报 >> 2002, Vol. 18 >> Issue (10): 924-929.doi: 10.3866/PKU.WHXB20021012

研究论文 上一篇    下一篇

动力学体系二维数据的秩分析及其应用

陈迪钊;梁逸曾;徐承建   

  1. 怀化学院化学系, 怀化　418008;中南大学化学化工学院, 长沙　410083
  • 收稿日期:2002-01-03 修回日期:2002-04-26 发布日期:2002-10-15
  • 通讯作者: 梁逸曾 E-mail:yzliang@public.cs.hn.cn

Rank Analysis on Two-dimensional Kinetic Data and Its Related Application

Chen Di-Zhao;Liang Yi-Zeng;Xu Cheng-Jian   

  1. Department of Chemistry, Huaihua College, Huaihua　418008;College of Chemistry and Chemical Engineering, Central South University, Changsha　410083
  • Received:2002-01-03 Revised:2002-04-26 Published:2002-10-15
  • Contact: Liang Yi-Zeng E-mail:yzliang@public.cs.hn.cn

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摘要： 详细论证了动力学体系中存在的多种共线性情况,以及在此情况下二维数据阵的秩与独立反应数及组分数的关系.分析了通过增秩这一方式来判断体系组分数的条件.讨论了反应间存在物质交换对数据阵秩的影响.建立起一套通过秩分析判断未知动力学体系中存在的反应组分数、独立反应数以及可能反应机理的方法.将秩分析技术应用到聚苯胺与质子酸反应,初步分析了该体系存在的多种吸光性结构及结构变化.确定了[H＋]=0.01～0.1 mol•L－1范围内,聚苯胺与质子酸反应存在一个三结构两步互变过程.

关键词: 动力学, 秩分析, 因子分析, 聚苯胺, 反应机理

Abstract: In this paper, it has been elaborately elucidated that many instances of co linearity and the relationship among the rank of data matrix, the number of chemical components and the number of independent reactions. In addition, how to use rank augment technique to estimate the number of component is well discussed. Besides, it is specially explained that materials exchange among reactions has an effect on rank of data matrix. Furthermore, a set of approaches based on rank analysis technique, which can be used to determine the number of chemical components, independent reactions and the possible reaction mechanism in kinetic systems, are well developed. In the end, the rank analysis technique is applied to investigate the reaction mechanism between the polyaniline and the proton acid. The results, to see equation (24),show that there is a two-step Interco version among three absorbing structures under experimental condition of [H＋]=0.01～0.1 mol•L－1.

Key words: Kinetics, Rank analysis, Factor analysis, Polyaniline, Reaction mechanism