Direct correlation function for complex square barrier-square well potentials in the first-order mean spherical approximation

• Published in: The Journal of chemical physics Vol. 134; no. 11; p. 114101
• Main Authors: Hlushak, S P, Trokhymchuk, A D, Sokołowski, S
• Format: Journal Article
• Language: English
• Published: United States 21.03.2011
• ISSN: 1089-7690
• DOI: 10.1063/1.3560049

The direct correlation function of the complex discrete potential model fluids is obtained as a linear combination of the first-order mean spherical approximation (FMSA) solution for the simple square well model that has been reported recently [Hlushak et al., J. Chem. Phys. 130, 234511 (2009)]. The theory is employed to evaluate the structure and thermodynamics of complex fluids based on the square well-barrier and square well-barrier-well discrete potential models. Obtained results are compared with theoretical predictions of the hybrid mean spherical approximation, already reported in the literature [Guillen-Escamilla et al., J. Phys.: Condens. Matter 19, 086224 (2007)], and with computer simulation data of this study. The compressibility route to thermodynamics is then used to check whether the FMSA theory is able to predict multiple fluid-fluid transitions for the square barrier-well model fluids.