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以分析化学中的两个典型计算和绘图问题:以各种复杂水溶液体系pH值计算和弱酸型体分布曲线图形绘制为例,详细介绍建立用于分析化学的MATLAB的M函数库思路和M函数的程序编写过程。给出了适合从一元强酸、强碱到三元弱酸、弱碱等复杂水溶液pH计算的库函数和适合一、二、三及六元酸等弱酸型体分布曲线的绘图函数。经过典型算例证明:以上计算pH的函数库和弱酸型体分布曲线绘图函数简单实用、计算过程优化、效率高、数值稳定性好。可广泛用于分析化学及相关学科的教学和科研,具有重要意义。
In order to analyze two typical problems of chemical calculation and mapping: Taking the complex pH solution of various aqueous solution systems and the charting of weak acid body distribution curve as an example, we introduce in detail the M function library idea and M function of MATLAB for analytical chemistry The process of programming. The library functions suitable for pH calculation from complex strong acids and strong bases to the complex aqueous solutions such as ternary weak acids and weak bases, and the plotting functions suitable for the distribution curves of weakly acidic forms such as mono, di, tri and hexaacids are given. After a typical example shows that: the above calculation function library of pH and weak acid body distribution curve drawing function is simple and practical, the calculation process optimization, high efficiency, numerical stability is good. It can be widely used in the teaching and research of analytical chemistry and related disciplines, which is of great significance.