GROUP CONTRIBUTION METHOD FOR THE PREDICTION OF LIQUID DENSITIES AS A FUNCTION OF TEMPERATURE FOR SOLVENTS, OLIGOMERS, AND POLYMERS

被引:189
作者
ELBRO, HS [1 ]
FREDENSLUND, A [1 ]
RASMUSSEN, P [1 ]
机构
[1] TECH UNIV DENMARK, DEPT CHEM ENGN, IVC SEP, ENGN RES CTR, DK-2800 LYNGBY, DENMARK
关键词
D O I
10.1021/ie00060a011
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
A new group contribution method, GCVOL, for the prediction of liquid densities as a function of the temperature is proposed. A table for 36 different group volume parameters is given. Using the proposed method liquid densities for even strongly polar solvents can be predicted with an error of approximately 1% in the temperature range between the melting temperature and the normal boiling point. Densities of amorphous polymers are predicted with an average error of 2.7%. The proposed method is able to describe densities for the complete molecular range, covering solvents, oligomers, and polymers.
引用
收藏
页码:2576 / 2582
页数:7
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