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采用Borland C++ Builder 6.0可视化编程环境和基于面向对象的C++语言开发动力学模拟软件。该软件中对微分方程组的求解采用四阶龙格-库塔法。该软件适用于模拟各种化学动力学过程,用户可以根据不同情况设置复杂反应的任意步骤及其基元反应、相应反应速率常数及各物种的初始浓度和反应时间等。软件根据用户设定的参数自动计算出参与反应过程中各物种的浓度变化,同时提供Excel输出功能和绘图功能,可以直观地看到反应的动力学曲线。该软件不需要其他应用软件支持,可以在Windows 98/Me/2000/XP/2003下直接运行。程序涉及到的算法,需要较复杂的数据结构,程序采用C++语言提供的标准模板库,简化了程序设计并提高了运行效率。该软件模拟了一个包含平行-连串反应的化学动力学过程,运行速度较快,并得到精确的计算结果。
Borland C + + Builder 6.0 visual programming environment and object-oriented C ++ language development dynamics simulation software. In this software, the fourth order Runge-Kutta method is used to solve differential equations. The software is suitable for simulating various chemical kinetic processes. The user can set any step of the complex reaction and its elementary reaction, the corresponding reaction rate constant and the initial concentration and reaction time of each species according to different situations. The software automatically calculates the concentration of each species involved in the reaction according to the parameters set by the user. At the same time, it provides the Excel output function and the drawing function, which can intuitively see the kinetic curve of the reaction. The software does not require other application software support, you can run directly under Windows 98 / Me / 2000 / XP / 2003. Algorithms involved in the program, the need for more complex data structures, the program uses a standard template library C + + language to simplify programming and improve operational efficiency. The software simulates a chemical-kinetic process involving parallel-series reactions that run faster and get accurate calculations.