多元弱酸稳定常数的蒙特卡洛·荷克杰维斯算法

THE MONTE CARLO～HOOKE-JEEVES ALGORITHM FOR EVALUATION OF PROGRESSIVE STABILITY CONSTANTS OF POLYBASIC WEAK ACIDS

利用ｐＨ滴定法测定多元弱酸逐级条件稳定常数ｌｏｇｋ＇＿ｉ的通用公式，由ＭｏｎｔｅＣａｒｌｏ法确定各ｌｏｇｋ＇＿ｉ初值，Ｈｏｏｋｅ－Ｊｅｅｖｅｓ法进行精解，对实验点进行了非线性拟合。计算结果表明，本法实验简便，数值运算效率高，收敛快。

By the formula of pH titration method,a computational programm for evaluation ofthe progressive stability constants(PKa)of polybasic weak acids is proposed.The experiment pointsare fitted nonlinearly with Monte Carlo algorithm for selecting the preliminary value and HookeJeeves method for determining the accurate solution. The results show this method is simpleexperimently,effecient to calculate and quick for convergence.