NEW DEVELOPMENTS OF THE UNIFAC MODEL FOR ENVIRONMENTAL APPLICATION

被引：24

作者：

CHEN, F ^{[1
]}

HOLTENANDERSEN, J ^{[1
]}

TYLE, H ^{[1
]}

机构：

[1] DANISH ENVIRONM PROTECT AGCY,DK-1401 COPENHAGEN,DENMARK

来源：

CHEMOSPHERE | 1993年 / 26卷 / 07期

关键词：

D O I：

10.1016/0045-6535(93)90185-8

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

The latest UNIFAC group-interaction parameters are used in this investigation to evaluate the applicability of the UNIFAC model for predicting environmentally important physico-chemical properties, among others 1-octanol/water partition coefficients and water solubilities. It is shown the UNIFAC model has considerable potential for environmental applications, but some modifications are necessary. Following the evaluation, a new set of UNIFAC group-interaction parameters has been developed on the basis of infinite dilution activity coefficients of organic compounds with water. Thus, the accuracy of the UNIFAC model has been enhanced specially for the systems containing some highly hydrophobic compounds.

引用

页码：1325 / 1354

页数：30

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