大学化学 >> 2017, Vol. 32 >> Issue (10): 52-60.doi: 10.3866/PKU.DXHX201705025

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开发面向分析化学的复杂方程绘图求解软件

邵利民*()   

  • 发布日期:2017-10-27
  • 通讯作者: 邵利民 E-mail:lshao@ustc.edu.cn
  • 基金资助:
    安徽省重大教学研究项目(2015zdjy006)

Developing a Software Package to Plot and Solve Complex Equations in Chemical Analysis

Li-Min SHAO*()   

  • Published:2017-10-27
  • Contact: Li-Min SHAO E-mail:lshao@ustc.edu.cn
  • Supported by:
    安徽省重大教学研究项目(2015zdjy006)

摘要:

化学平衡的精确解析会涉及复杂方程的求解,而分析化学专业人员通常不完全具备相关算法和编程知识。所以,尽管当前硬件发达、编程语言丰富,精确解析仍然难以在分析化学课程中大规模推广。为此,基于Matlab语言,开发了具有针对性的方程求解软件。该软件以简洁的界面、直观的图像和自然的人机交互,实现方程的高效求解;对用户的编程要求非常低。期望通过这种方式,显著降低化学平衡精确解析中的软件使用成本,从而为大规模推广提供进一步的支持。本文介绍了该软件的基本原理和主要特点;通过3个复杂化学平衡实例,详细说明软件的使用方法以及注意事项。另外提供Android系统版本,免费使用。

关键词: 化学平衡, 精确求解, 软件开发, Matlab语言, 安卓系统

Abstract:

Accurate analysis of chemical equilibria involves solving complex equations, which requires adequate knowledge on algorithms and programming languages. People who major in analytical chemistry often lack such knowledge. As a result, it is difficult to adopt accurate analysis in analytical chemistry on a large scale. To overcome such difficulty, we developed a software package with Matlab. The software solves complex equations efficiently through an intuitive interface, a graph, and natural interactions, whilst requires little programming on users. This paper introduced theory and features of the software package, and explained its usage in detail with 3 examples of complex chemical equilibria. An Android version was also developed and provided free of charge.

Key words: Chemical equilibrium, Rigorous solution, Software development, Matlab language, Android system

MSC2000: 

  • G64