Progress in the Perturbation Approach in Fluid and Fluid-Related Theories

被引:67
作者
Zhou, Shiqi [1 ,2 ]
Solana, J. R. [3 ]
机构
[1] Cent S Univ, State Key Lab Powder Met, Changsha 410083, Hunan, Peoples R China
[2] Cent S Univ, Sch Phys Sci & Technol, Changsha 410083, Hunan, Peoples R China
[3] Univ Cantabria, Dept Appl Phys, E-39005 Santander, Spain
基金
中国国家自然科学基金;
关键词
DENSITY-FUNCTIONAL THEORY; EQUATION-OF-STATE; 2ND VIRIAL-COEFFICIENT; RADIAL-DISTRIBUTION FUNCTION; DIRECTIONAL ATTRACTIVE FORCES; HYDRATION FREE-ENERGY; VAPOR-LIQUID-EQUILIBRIA; MONTE-CARLO SIMULATIONS; SQUARE-WELL DIATOMICS; HARD-SPHERE MIXTURES;
D O I
10.1021/cr900094p
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Significant progress made in the perturbation approach in fluid and fluid-related theories are discussed. Some of the latest advancements in perturbation theories for simple fluids were related to the λ-expansion. The free energy system was expressed as an inverse temperature expansion in one of the equations whose terms were related to fluctuations around the mean perturbation energy calculation in the reference system. Another expression was the basis of the calculation of several of the low-order perturbative terms through computer simulation. A number of researchers also derived one of the most accurate expressions for the second-order term in the free energy expansion. This approximation was found to provide better agreement with the simulation data of F2/NkT for the SW fluid.
引用
收藏
页码:2829 / 2858
页数:30
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