确定反应级数和计算速率常数的数值方法

A Numerical Method for Determining the Order of A Reaction and Calculating the Rate Constant

本文根据反应体系中物质的某一物理性质与其浓度呈线性关系,提出了在反应物初始浓度相等或不相等条件下确定反应级数和计算一级、二级、三级、1/2级和3/2级反应速率常数的数值方法。并以一级、二级反应的实验数据为例作了计算。计算表明,本文结果与常规方法能很好地吻合。在化学动力学中,实验数据的这种数值处理方法将使实验过程得到简化,实验结果更准确、更可靠。

This paper presents a numerical method for determining the order of a reaction andcalculating the rate constant of the first-,second-,third-,one second-,threesecond-reactions for the equal or unequal initial concentration of reactants based on thelinear relationship between some physical properties of substances in the reaction systemand its concentration.Calculation examples for experimental data of first-and second re-actions are given out,the results show a good agreement to the results computed with or-dinary method.In chemical kinetics,this numerical method of experimental data pro-cessing will simplify the experimental procedure,and the results may be more exact and re-liable.