On the Calculation of Surface Tensions of n-Alkanes Using the Modified SAFT-BACK-DFT Approach

被引：8
|
作者：
Maghari, Ali [1 ]
Najafi, Mohsen [2 ]
机构：
[1] Univ Tehran, Coll Sci, Sch Chem, Dept Phys Chem, Tehran, Iran
[2] Tarbiat Modares Univ, Fac Sci, Dept Chem, Tehran, Iran
来源：
JOURNAL OF SOLUTION CHEMISTRY | 2010年 / 39卷 / 01期
关键词：
Surface tension; Statistical Association Fluid Theory (SAFT-BACK); Density Functional Theory; DIRECTIONAL ATTRACTIVE FORCES; DENSITY-FUNCTIONAL THEORY; CORRESPONDING STATES MODEL; LIQUID-LIQUID INTERFACE; EQUATION-OF-STATE; DER-WAALS THEORY; ASSOCIATING FLUIDS; PURE FLUIDS; PREDICTION; THERMODYNAMICS;
D O I：
10.1007/s10953-009-9480-6
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：
Density functional theory is combined with the modified SAFT-BACK EOS to investigate liquid-vapor interfaces of n-alkanes. We evaluate the temperature dependence of the interfacial width and the surface tension. Differences in chain length of the alkanes lead to differences in the thermodynamic properties of the fluids. A single curve for the reduced width of the interface as a function of reduced temperature serves to correlate interfacial properties of a wide variety of linear chain fluids (excluding methane and ethane) with sufficient accuracy for our purposes.
引用
收藏
页码：31 / 41
页数：11
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