Estimation of the differential molar heat capacities of organic compounds at their melting point

被引:42
作者
Pappa, GD [1 ]
Voutsas, EC [1 ]
Magoulas, K [1 ]
Tassios, DP [1 ]
机构
[1] Natl Tech Univ Athens, Thermodynam & Transport Phenomena Lab, Sch Chem Engn, Athens 15780, Greece
关键词
D O I
10.1021/ie048916s
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
Methods for the estimation of the differential molar heat capacity, the difference between the heat capacity of the solid and the liquid form of organic compounds at their melting point Δ c(p)-(T-m), are presented. Three schemes are considered: the first involves use of group contribution methods for the prediction of solid heat capacity (c(p)(S)) and liquid heat capacity (c(p)(L)); the other two, empirical correlations through the entropy of fusion at the melting point Δ S-f(T-m). Recommendations for the different categories of organic compounds are made that provide substantial improvement over the commonly used assumption of Δ c(p) = 0, in the prediction of ideal solid solubility and solid vapor pressure.
引用
收藏
页码:3799 / 3806
页数:8
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