These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: Structure and thermodynamics of hard-core Yukawa fluids: thermodynamic perturbation approaches.
    Author: Kim EY, Kim SC, Seong BS.
    Journal: J Chem Phys; 2011 Jul 21; 135(3):034505. PubMed ID: 21787011.
    Abstract:
    The thermodynamic perturbation theories, which are based on the power series of a coupling constant (λ-expansion), have been proposed for studying the structural and thermodynamic properties of a hard-core Yukawa (HCY) fluid: one (A1-approximation) is the perturbation theory based on the hard-sphere repulsion as a reference system. The other (A2-approximation) is the perturbation theory based on the reference system which incorporates both the repulsive and short-range attractive interactions. The first-order mean-spherical approximation (FMSA) provided by Tang and Lu [J. Chem. Phys. 99, 9828 (1993)] has been employed for investigating the thermodynamic properties of a HCY fluid using the alternative method via the direct correlation function. The calculated results show that (i) the A1 and A2 approximations are in excellent agreements with previous computer simulation results in the literature and compare with the semi-empirical works of Shukla including the higher-order free energy terms, (ii) the A1 and A2 approximations are better than the FMSA and the mean-spherical approximation, (iii) the A2-approximation compares with the A1-approximation, even though the perturbation effect of an A2-approximation is much smaller than that of an A1-approximation, and that (iv) the FMSA study is particularly of advantage in providing the structure and thermodynamics in a simple and analytic manner.
    [Abstract] [Full Text] [Related] [New Search]