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反应动力学实验数据误差较大且分布不均匀,一般的数据处理方法往往不适用。本文充分利用所得数据和化学反应方程组自身隐含的数学性质,首先采用自然三次样条进行数据拟合,然后利用拟合出的函数关系作为迭代计算反应速率常数的初值,给出了一种求解反应速率常数的方法,并采用数值软件MATLAB编程。给出了一个实例,计算表明本文方法对于处理误差较大且分布不均匀的动力学实验数据,取得了令人满意的效果。
Reaction kinetics experimental data error is large and uneven distribution, the general data processing methods are often not applicable. In this paper, we make full use of the implicit mathematical properties of the obtained data and chemical reaction equations. Firstly, we use the natural cubic spline to fit the data. Then we use the fitted function to calculate the initial value of the reaction rate constant. Solve the reaction rate constant method, and the use of numerical software MATLAB programming. An example is given. The calculation shows that the proposed method achieves satisfactory results for the experimental data with large error and uneven distribution.