Modeling interfacial tension of (CH4+N2)+H2O and (N2+CO2)+H2O systems using linear gradient theory

被引:30
作者
Khosharay, Shahin [1 ]
Varaminian, Farshad [1 ]
机构
[1] Semnan Univ, Sch Chem Gas & Petr Engn, Semnan, Iran
关键词
Interfacial Tension; CPA Equation of State; Linear Gradient Theory; Ternary Mixtures; DENSITY-FUNCTIONAL THEORY; SEMI-EMPIRICAL THEORY; SURFACE-TENSION; FLUID INTERFACES; FREE-ENERGY; CORRESPONDING-STATES; TERNARY MIXTURES; MOLECULAR THEORY; BINARY-MIXTURES; WATER-SYSTEMS;
D O I
10.1007/s11814-012-0187-9
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The linear gradient theory (LGT) of fluid interfaces in combination with the cubic-plus-association equation of state (CPA EOS) is applied to determine the interfacial tensions of (CH4+N-2)+H2O and (N-2+CO2)+H2O ternary mixtures from 298-373 K and 10-300 bar. First, the pure component influence parameters of CH4, N-2, CO2 and H2O are obtained. Then, temperature-dependent expressions of binary interaction coefficient for (CH4+H2O), (N-2+H2O) and (CO2+H2O) are correlated. These empirical correlations of pure component influence parameters and binary interaction coefficients are applied for ternary mixtures. For (CH4+N-2)+H2O and (N-2+CO2)+H2O mixtures, the predictions show good agreement with experimental data (overall AAD similar to 1.31%).
引用
收藏
页码:724 / 732
页数:9
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