摘要
基于MATLAB语言设计编写了Monte Carlo法处理化学反应动力学问题的通用程序,将所编程序用于模拟邻苯二甲酸二甲酯的碱性水解反应,模拟结果与实验结果及按照常规化学反应动力学公式的计算结果相比较,表明Monte Carlo法模拟对于预测反应动力学过程具有较高准确性.
Aiming at the simulation of chemical kinetics, a program is developed by means of MATLAB, based on the Monte Carlo method. Then it is applied in the hydrolysis of dimethyl （o-）phthalate in alkaline solution. Compared with the experimental result and calculated value by the chemical kinetics equations, the simulated value by this program is satisfying. Therefore, this program is accurate in predicting reaction mechanism.
出处
《西华师范大学学报（自然科学版）》
2007年第1期103-107,共5页
Journal of China West Normal University(Natural Sciences)
