Predicting the solubilities of complex chemicals I. Solutes in different solvents

被引：49

作者：

Abildskov, J

O'Connell, JP

机构：

[1] Tech Univ Denmark, Dept Chem Engn, Comp Aided Proc Engn Ctr, DK-2800 Lyngby, Denmark

[2] Univ Virginia, Dept Chem Engn, Charlottesville, VA 22904 USA

来源：

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 2003年 / 42卷 / 22期

关键词：

D O I：

10.1021/ie030210v

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

A systematic approach is suggested for predicting the solubility of sparingly soluble solid fine chemicals and pharmaceuticals. The procedure uses group contribution methods for computing the difference in solubility at infinite dilution in the solvent of interest from an optimal reference solvent with the aim of (1) minimizing the impact of uncertainties in pure-solute properties, (2) decreasing the number of adjustable parameters to be determined by data reduction, and (3) using appropriate experimental data to fit unknown parameters. Several examples illustrate the method.

引用

页码：5622 / 5634

页数：13

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