Modeling the water-supercritical CO2 partition coefficients of organic solutes using a linear solvation energy relationship

被引：29

作者：

Lagalante, AF ^{[1
]}

Bruno, TJ ^{[1
]}

机构：

[1] Natl Inst Stand & Technol, Phys & Chem Properties Div, Boulder, CO 80303 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 1998年 / 102卷 / 06期

关键词：

D O I：

10.1021/jp973047o

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A linear solvation energy relationship (LSER) has been developed to predict the water-supercritical CO2 partition coefficients for a published collection of data. The independent variables in the model are empirically determined descriptors of the solute and solvent molecules. The LSER approach provides an average absolute relative deviation of 22% in the prediction of the water-supercritical CO2 partition coefficients for the six solutes considered. Results suggest that other types of equilibrium precesses in supercritical fluids may be modeled using a LSER approach.

引用

页码：907 / 909

页数：3

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