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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 principle of determining reaction order by concentration - time ratio method and the computer process of data processing are introduced. When this method is applied, the conversion ratio of the reactants at different times and the time ratio corresponding to the concentration-time ratio calculation formula are calculated first, and then the reaction order and the reaction rate constant are calculated by a computer using a global optimization search algorithm. Methods The experimental data of first-, second- and fractional-level reactions were analyzed and the results showed that the reaction order determined by the concentration-time ratio method was in good agreement with the conventional method. In order to efficiently and quickly determine the reaction order during the data processing, an open Matlab program of concentration-time ratio method is listed in this paper.