直接曲线拟合法确定反应速率方程

从实验数据确定反应速率方程是化学动力学的重要内容之一。物理化学教材与文献中多依据反应物浓度或者分压进行直线拟合,这些方法的数据处理工作量大。很多化学反应是通过测量系统的物理性质来研究化学反应动力学过程,在教材和文献中缺少从物理性质直接拟合得到速率方程的普遍适用的方法。本文提出了一种由浓度-时间数据或物理性质-时间数据直接曲线拟合得到简单级数反应速率方程的新方法,通过曲线拟合同时求出反应级数与速率常数,利用实例对简单级数反应进行了验证。本文提出的方法是化学动力学"速率方程的确定"内容的创新,对确定简单级数反应速率方程具有重要意义。

Determination of the Rate Law Equation by Curve Fitting

The determination of rate law from experimental data is one of the most important parts of chemical kinetics. The methods used in textbooks and literatures are linear fitting methods of reactant concentration or pressure, most of which are with heavy workload. Many reactions are studied by measuring the physical properties of the system instead of reactant concentration, but there is no universal method to determine rate law from physical properties. Here a universal method for determining rate law from curve fitting of physical properties or reactant concentration is presented, both the reaction order and rate constant are obtained at the same time. The good fitting results for reactions of all kinds of orders are obtained. This method is of great significance for chemical kinetics.