连续反应动力学的计算及过程的计算机模拟  

The calculation and computer simulation for the consecutive first-order reaction

作　　者：黄雪征[1] 张常群[1] 

机构地区：[1]北京化工大学理学院,北京100029

出　　处：《计算机与应用化学》2005年第3期211-214,共4页Computers and Applied Chemistry

基　　金：世行贷款21世纪初高等教育教学改革项目;国家工科化学课程教学基地建设项目资金

摘　　要：在连续反应中,速率系数的比值很大程度上决定了中间产物浓度的走向,并由此引出了一个重要的方法:稳态近似法。微软公司推出的可视化编程语言Visual Basic提供了强大的计算与绘图功能,作者利用它研制了一级连续反应动力学的模拟程序。该程序能够计算出参与反应的各个物质的浓度,并且能够生动和直观地演示出各个物质的浓度随着反应的进行而发生的变化,从而使初学者进一步深刻理解一级连续反应和掌握稳态近似法的理论来源。During the process of consecutive first-order reaction, the trend of the intermediate is largely determined by the ratio of the rate coefficient; therefore this case leads to an important method:steady-state approximation. The program to simulate the consecutive first-order reaction has been developed by the strong function of Visual Basic in calculation and plot. It can calculate the concentration of any reactants in any time; in addition, it can present the varieties of the reactants during the process of reaction vividly and more understandably. As a result, it is helpful to understand the consecutive first-order reaction and the source of the steady-state treatment more deeply for beginners.

关 键 词：一级连续反应 速率系数比值 稳态近似法 计算机模拟 

分 类 号：O643.12[理学—物理化学] G434[理学—化学]