Abstract

A method is described for determining the rate constants of the stages of chemical reactions occurring in an enclosed isothermal gradientless reactor based on non-stationary data. The method is based on the description of the relaxation features of various sections of non-stationary experimental dependences of reagent concentrations using continuous smooth curves (time splines) at all experimental points. This approach makes it possible to calculate the concentrations of reagents and the instantaneous rates of their change at any time points with an accuracy not exceeding the error in measuring reagent concentrations. This method was used to determine the rate constants of the stages and the intervals of their possible changes for the reaction of hydroalumination of olefins. The stability of the method was checked by changing the measurement errors of reagent concentrations (noise).

中文翻译：

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确定密闭无梯度反应器中化学反应阶段速率常数的方法

摘要

描述了一种基于非平稳数据确定在封闭的等温无梯度反应器中发生的化学反应阶段的速率常数的方法。该方法基于在所有实验点上使用连续平滑曲线（时间样条）对试剂浓度的非平稳实验依赖性的各个部分的弛豫特征的描述。这种方法使得可以在任何时间点计算试剂的浓度及其瞬时变化速率，其准确性不超过测量试剂浓度时的误差。该方法用于确定各阶段的速率常数及其对于烯烃的氢化铝反应的可能变化的间隔。