A novel equation of state for the prediction of thermodynamic properties of fluids

被引:12
|
作者
Polishuk, I
Vera, JH
机构
[1] McGill Univ, Dept Chem Engn, Montreal, PQ H3A 2B2, Canada
[2] Coll Judea & Samaria, Dept Chem Engn & Biotechnol, Ariel, Israel
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 2005年 / 109卷 / 12期
关键词
D O I
10.1021/jp046025s
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This work proposes a new equation of state (EOS) based on molecular theory for the prediction of thermodynamic properties of real fluids. The new EOS uses a novel repulsive term, which gives the correct hard sphere close packed limit and yields accurate values for hard sphere and hard chain virial coefficients. The pressure obtained from this repulsive term is corrected by a combination of van der Waals and Dieterici potentials. No empirical temperature functionality of the parameters has been introduced at this stage. The novel EOS predicts the experimental volumetric data of different compounds and their mixtures better than the successful EOS of Peng and Robinson. The prediction of vapor pressures is only slightly less accurate than the results obtained with the Peng-Robinson equation that is designed for these purposes. The theoretically based parameters of the new EOS make its predictions more reliable than those obtained from purely empirical forms.
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页码:5977 / 5984
页数:8
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