Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, Lviv 79011, Ukraine.
J Chem Phys. 2011 Mar 21;134(11):114101. 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.
复杂离散势能模型流体的直接相关函数是作为最近报道的简单方阱模型的一阶平均球近似（FMSA）解的线性组合得到的[Hlushak 等人，J.Chem.Phys.130,234511（2009）]。该理论被用于基于方阱势垒和方阱势垒阱离散势能模型评估复杂流体的结构和热力学。得到的结果与文献中已经报道的混合平均球近似理论预测[Guillen-Escamilla 等人，J.Phys.：Condens.Matter19,086224（2007）]进行了比较，并与本研究的计算机模拟数据进行了比较。然后，通过压缩性途径研究热力学，以检查 FMSA 理论是否能够预测方阱势垒模型流体的多种流体-流体转变。
