模拟一级和二级反应同时发生的化学反应动力学过程软件的开发  

Development of chemical reaction kinetics process simulation software about the simultaneous first-order and second-order reactions

作　　者：任庆云[1] 王松涛[1] 玉占君[2] 范荫恒[2] 张大飞[1] 李强[1] 

机构地区：[1]集宁师范学院化学系,内蒙古集宁012000 [2]辽宁师范大学化学化工学院,辽宁大连116029

出　　处：《辽宁师范大学学报（自然科学版）》2010年第4期454-456,共3页Journal of Liaoning Normal University:Natural Science Edition

摘　　要：物理化学实验中一级和二级反应同时发生的化学反应动力学过程,其实质是一个求解一阶常微分方程的过程.采用Visual Basic 6.0语言,用四阶龙格-库塔法求解,开发了模拟一级和二级反应同时发生的化学反应动力学过程软件,其功能是根据设定的参数计算出参与反应过程中反应物的浓度随时间变化情况,可以直观地看到该反应动力学曲线,并可输出计算结果和图形.Essentially,the chemical reaction kinetic process of simultaneous first-order and second-order reactions in the physical chemistry experiments is a process of resolving the first order ordinary differential equation.The simulation software of the chemical reaction kinetics process for the simultaneous first-order and second-order reactions is developed using Visual Basic 6.0 language,in which four-order-Runge-Kutta method is used to resolve the first order ordinary differential equation.The concentration transformations of the reactants which change gradually with time during the reaction process can be computed according to the given parameters,the reaction kinetic curves can be seen intuitionally,and the results and the graphs can be printed.

关 键 词：计算机 一阶常微分方程 反应动力学 VISUAL Basic 6.0 

分 类 号：O643.12[理学—物理化学] G434[理学—化学]