MODIFIED GROUP-CONTRIBUTION METHOD FOR PREDICTING THE ENTROPY OF VAPORIZATION AT THE NORMAL BOILING-POINT

被引:15
作者
MA, PS [1 ]
ZHAO, XM [1 ]
机构
[1] TIANJIN UNIV,DEPT CHEM ENGN,TIANJIN 300072,PEOPLES R CHINA
关键词
D O I
10.1021/ie00024a032
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
A new group contribution method has been proposed which only requires the molecular structure to predict the entropy of vaporization at the normal boiling point. The 483 compounds used to determine the group increments include a wide variety of organic substances. The average prediction error of the new method for these compounds is 1.4%. An extensive comparison has been made between our method and previously proposed techniques, and the results show that the new method has wider applicability and higher accuracy.
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页码:3180 / 3183
页数:4
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