摘要
应用蒙特卡洛及单纯形加速法作为确定初值及精解手段,在提出多元酸准稳定常数及模型的基础上,提出一种计算多元酸各级稳定常数的通用方法,并编制了“MONTECARLO-MSM(PK)”的计算机程序。
A new concept and model—quasi-stability constants of polybasic acid and its equation are presented. The calculation is carried out by employing Monte Carlo method and modified simlex optimization method, with a computer program MONTECARLO-MSM(PK). It has been confirmed that the new concept is valuable to the foundation of chemical, model selection of calculating method and realization of computerization.
关键词
多元酸
蒙特卡洛法
稳定常数
computerized analysis
montecarlo method
stability constant
optimizing
calculation
polybasic acid.
