Athermal lattice chains compared with hard-sphere chains

Chul Soo Lee, Jung Won Kang

    Research output: Contribution to journalArticlepeer-review

    3 Citations (Scopus)

    Abstract

    The Guggenheim-Huggins-Miller approximation of athermal lattice fluids has been a basis for lattice fluid equations of state. For better understanding of GHM solution, it was compared with molecular simulation data of hard-sphere chains. Relations were developed between parameters of lattice and off-lattice chain fluids for the comparison. The Guggenheim-Huggins-Miller approximation was found in good agreements with molecular simulation data of fused-hard-spheres when compared using the developed relations. But the agreements of GHM solution with tangent-hard-sphere chain data were found less satisfactory and deviations increased as segment number increased. Average deviations of GHM solution from mixed tangent-hard-sphere chain data were found similar to those of pure components. Real fluid parameters fitted to a GHM-based lattice fluid equation of state and the first order thermodynamic perturbation theory-based SAFT were found optimized to give similar repulsive contributions.

    Original languageEnglish
    Pages (from-to)99-103
    Number of pages5
    JournalFluid Phase Equilibria
    Volume244
    Issue number1
    DOIs
    Publication statusPublished - 2006 Jun 5

    Keywords

    • Athermal lattice chain
    • Equation of state
    • Fused-hard-sphere chain
    • Hard-sphere chain
    • Molecular simulation

    ASJC Scopus subject areas

    • General Chemical Engineering
    • General Physics and Astronomy
    • Physical and Theoretical Chemistry

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