多元弱酸及两性物质逐级稳定常数的pH法测定和计算机优化算法  

The pH Titrate and Computer Optimatlized Algorithm for Determining the Progressive StabilityConstants of Polybasic Weak Acids and Amphoteric Substances

作　　者：何玉萼[1] 金飞[1] 陈岭[1] 何奉道[1] 

机构地区：[1]四川大学化学系,西南交通大学计科系

出　　处：《化学研究与应用》1994年第4期32-39,共8页Chemical Research and Application

摘　　要：本文由ｐＨ滴定法原理导出多元弱酸及两性物质逐级稳定常数ｋ＿ｉ的计算公式。编辑了由Ｍｏｎｔｅ－Ｃａｒｌｏ法确定初值，Ｈｏｏｋｅ－Ｊｅａｖｅｓ法精解的计算程序。由此算法测定了方酸及其衍生物的各级稳定常数。结果表明，该法实验简便，数值运算效率高。Formulas for calculating progressivc stability constants of polybasic weak acids and some amphotericsubetances from the data of pH titration are worked out.A programm by Monte Carlo defined preliminary value and Hooke Jeeves for exaet solution are obtained likewise.By this algorithem thePK_a of Squaric acid and some its derivatives have also been assesed.

关 键 词：弱酸 两性物质 逐级稳定常数 酸碱滴定 优化算法 

分 类 号：O651[理学—分析化学]