化学反应速率常数和反应级数的计算机求解

Calculation of Chemical Reaction Constant and Reaction Order by Computer

利用Visual Basic编程工具设计了一个计算程序,用于解决复杂的化学反应动力学的反应级数和反应速率常数的计算问题.程序根据线性相关系数R的数值来判断计算反应速率时的最优的时间变化量dt,从而保证了计算结果的准确性,同时,程序具有强大的绘图功能,所绘图形美观协调,可形象直观地表达出反应物质的浓度变化趋势以及反应速率的对数值和物质浓度的对数值的线性拟合程度.利用一个反应实例对程序进行了验证,计算结果和文献参考值吻合良好.

The program and the reaction order. the linear correlation R can express the change is complied by the Visual Basic language to calculate the chemical reaction rate constant The optical time variation dt for calculating the reaction rate is determined by the value of to ensure the accuracy of the calculation value. Moreover, figures plotted by the program trend of the species concentration vividly and demonstrate the linear fitting degree of the logarithm of the reaction rate and the species concentration. The program is testified by an example and the results show that the calculation value agrees well with the documents data.