大学化学 >> 2021, Vol. 36 >> Issue (2): 2005007.doi: 10.3866/PKU.DXHX202005007

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R语言在分析化学教学中的应用

谭巧国()   

  • 收稿日期:2020-05-05 录用日期:2020-05-08 发布日期:2020-05-26
  • 通讯作者: 谭巧国 E-mail:tanqg@xmu.edu.cn
  • 作者简介:谭巧国, Email: tanqg@xmu.edu.cn

Application of Programming Language R in Teaching of Analytical Chemistry

Qiaoguo Tan()   

  • Received:2020-05-05 Accepted:2020-05-08 Published:2020-05-26
  • Contact: Qiaoguo Tan E-mail:tanqg@xmu.edu.cn

摘要:

举例展示了将编程语言R用于分析化学的教学。运用R的数值计算功能,求解化学平衡中涉及的高次方程,不仅免去繁琐的判别与公式简化过程,还将所有化学平衡计算统一为同一种方法。运用R的绘图功能,绘制分布分数曲线、滴定曲线等。运用R的统计分析功能,替代传统的人工计算和查表方法。运用R的数值模拟功能,帮助学习者理解误差传递、置信区间等复杂概念。与当前分析化学教学中普遍采用的Excel相比,R还具有操作过程代码化、自释性高、扩展性强、安装使用方便等特色。在分析化学教学中应用R不仅有利于改善分析化学的学习效果,也为学习者掌握R这一有力的科研工具提供契机。

关键词: 分析化学, R语言, pH值计算, 分布分数, 滴定曲线, t检验, 误差传递

Abstract:

Application of programming language R for the teaching of analytical chemistry was demonstrated with several examples. Numerical calculation of R was used to solve the high-order equations involved in chemical equilibrium. It avoided the cumbersome processes of formula simplification, and also unified all equilibrium calculations into the same method. Plotting functions of R were used to plot species distribution curves, titration curves, etc. Statistical analysis functions of R were used to replace the traditional manual method. Numerical simulation functions of R were used to help students understand complex concepts such as propagation of error and confidence interval. Compared with Excel, which is commonly used in the teaching of analytical chemistry, R also has the characteristics of being code-based, self-explanatory, flexible, rapidly evolving, and readily accessible. The application of R in teaching of analytical chemistry not only helps to improve the learning efficacy, but also provides an opportunity for students to master the powerful research tool R.

Key words: Analytical chemistry, R programming language, pH calculation, Species distribution, Titration curve, t test, Propagation of error

MSC2000: 

  • G64