Predicting the equilibrium partitioning of organic compounds using just one linear solvation energy relationship (LSER)

被引：168

作者：

Goss, KU ^{[1
]}

机构：

[1] Swiss Fed Inst Technol, ETH, EAWAG, CH-8600 Dubendorf, Switzerland

来源：

FLUID PHASE EQUILIBRIA | 2005年 / 233卷 / 01期

关键词：

LSER; partitioning; Abraham parameter; Henry's law constant; organic solvents; fluorinated compounds;

D O I：

10.1016/j.fluid.2005.04.006

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

It has been shown before that all kinds of equilibrium partition data can be described by Abraham's LSER equations. Two types of LSER equations are used, one for liquid-liquid and one for liquid-air partitioning. Here it is suggested that one LSER equation with a different combination of descriptors can replace the two equations that have been used so far. The overall performance of this single LSER equation is identical to the two equations used before. Further advantages of the new LSER equation are: (a) the thermodynamic cycle can be applied and (b) it appears to give better results for highly fluorinated compounds. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：19 / 22

页数：4

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