pH精确计算及酸碱滴定曲线绘制通用软件的开发.docVIP

pH精确计算及酸碱滴定曲线绘制通用软件的开发 赵鑫，，（同济大学化学系，上海，200092）以Microsoft.NET Framework为开发平台，使用基于面向对象的C#语言开发pH计算及滴定曲线绘制的软件。该软件利用分布系数计算各种存在形态的平衡浓度，根据酸碱质子理论归纳出通用方程后利用二分法求解氢离子浓度从而计算pH软件收集了常见酸碱的离解常数，用户输入浓度后可精确计算pH值、绘制酸碱滴定曲线，同时提供Excel数据输出、图像保存等功能。如果需要考虑活度，可根据德拜-休克尔公式计算活度系数，使用浓度常数代替活度常数，使所得pH更接近体系真实值。软件计算结果准确、界面友好、容易操作，可广泛应用于各种体系。软件；pH计算；酸碱滴定；活度O651；TP312A 文章编号： Development of the general software for pH accurate calculation and titration curve drawing Zhao Xin，Cong Peisheng，Zhu Zhongliang (Department of Chemistry，Tongji University，200092，Shanghai，China，E-mail: pshcong@) Abstract: Based on Microsoft .NET Framework and written by the object-oriented language C#, a software for pH calculation and titration curve drawing is developed. The software first uses distribution coefficients to calculate the equilibrium concentration of various forms, after inducing universal equation according to proton theory of acids and bases, it solves the concentration of hydrogen ions making use of bisection method, thus gets the pH value. The software has collected the dissociation constant of common acids and bases and will accurately calculate the pH value and draw the titration curve after user just enters the concentration. Meanwhile, it will provide Excel data output and image saving. If the activity is considered, the software will calculate the activity coefficient according to Debye-Huckel formula and use concentration constant instead of activity constant, making the pH value calculated is closer to the real value of the system. As a good assistant, the software features many advantages: accurate results, friendly user interface and free-trouble operation and can be used in all kinds of systems. Key Words：software，pH calculation，acid-base titration，activity 引言 计算溶液的pH值和绘制酸碱滴定曲线是分析化学的重要环节，但教材中基本采用近似计算[1]。一般有两种方法：1. 计算时，可以先将有关常数和浓度数据代入质子条件中，得到精确的计算式，然后在运算的过程中再加以简化、省略；2. 根据有关常数和浓度的大小，对质子条件中各组分浓度的大小做出判断，略去小项，列出简化的质子条件，直接得出近似计算式。以上近似计算得出结果不够精确，而且都需要很多条件来限定适用范围，这么多的条件难以记忆，手工计算也非常困难。随着计算机的发展，各种软件也迅速应用于中。本软