BINDING-SITE ANALYSIS USING LINEAR-PROGRAMMING

被引：67

作者：

BRASSARD, P ^{[1
]}

KRAMER, JR ^{[1
]}

COLLINS, PV ^{[1
]}

机构：

[1] MCMASTER UNIV,DEPT GEOL,HAMILTON L8S 4M1,ONTARIO,CANADA

来源：

ENVIRONMENTAL SCIENCE & TECHNOLOGY | 1990年 / 24卷 / 02期

关键词：

D O I：

10.1021/es00072a006

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

Estimation of binding site concentrations and equilibrium constants is achieved by using a linear programming technique configured to a multiple-site monometal model. Simulated and actual titration data are used to test the procedure. The calculation is robust and can discriminate multiple pKs with extremely variable concentrations. For acid/base titrations, acid neutralizing capacity is determined as part of the procedure. The method works when the assumption for Gran’s analysis is violated. The resolution of titration curves by this method is only limited by the quality of the data. © 1990, American Chemical Society. All rights reserved.

引用

页码：195 / 201

页数：7

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