浓度—时间比法确定反应级数和计算速率常数

A ratio of concentration and time method for determining a reaction order and calculation the rate constant

介绍了浓度-时间比法确定反应级数的原理以及数据处理的计算机实现过程。应用该方法时首先计算出反应物在不同时刻的转化率和按浓度-时间比计算式计算对应的时间比,然后通过计算机用全局寻优搜索算法求出反应级数和反应速率常数。方法对一级、二级和分数级反应的实验测定数据分析,结果表明,利用浓度-时间比法确定的反应级数与常规方法能很好地吻合。在数据处理过程中,为高效、快速确定反应级数,文中列出了浓度-时间比法的开放式Matlab程序。

The paper introduces the theory and the experiment data processing of a differential-integral method, that is method of the ratio of concentration and time, for determining the order of a reaction and calculation the rate constant. During the process, for the measured concentricity value at different time during the experiment, use the conversion of consistency, and then calculate the ratio of concentration and time,at last to get the reaction order and the rate constant by using the optimization approach. Calculation examples for experimental data of the first order, the second order and the fraction order reactions are given out,the results show a good agreement to the results computed with ordinary. Matlab is applied as program language in order to keep the program simple,short and efficient.