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Molecular dynamics study of the thermodynamics and transport coefficients of hard hyperspheres in six and seven dimensions

Lue, L. and Bishop, Marvin (2006) Molecular dynamics study of the thermodynamics and transport coefficients of hard hyperspheres in six and seven dimensions. Physical Review E, 74 (2). 021201. ISSN 1539-3755

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Abstract

Molecular dynamics (MD) simulations are performed for six- and seven-dimensional hard-hypersphere fluids. The equation of state, velocity autocorrelation function, self-diffusion coefficient, shear viscosity, and thermal conductivity are determined as a function of density. The molecular dynamics results for the equation of state are found to be in excellent agreement with values obtained from theoretical approaches and previous MD simulations in seven dimensions. The short-time behavior of the velocity autocorrelation function is well described by the Enskog exponential approximation. The Enskog predictions for the self-diffusion coefficient and the viscosity agree fairly well with the simulation data at low densities, but underestimate these quantities at higher densities. Data for the thermal conductivity are in fine agreement with Enskog theory for all densities and dimensions studied.

Item type: Article
ID code: 27951
Keywords: hard-hypersphere fluids, viscosity, thermodynamics, autocorrelation , Physical and theoretical chemistry, Physics
Subjects: Science > Chemistry > Physical and theoretical chemistry
Science > Physics
Department: Faculty of Engineering > Chemical and Process Engineering
Related URLs:
    Depositing user: Dr Leo Lue
    Date Deposited: 02 Aug 2011 11:41
    Last modified: 12 Mar 2012 11:20
    URI: http://strathprints.strath.ac.uk/id/eprint/27951

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