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Hard-sphere kinetic-theory analysis of classical, simple liquids

Paulo M. Furtado, Gene F. Mazenko, Sidney Yip

Open publisher page 44 citations

Abstract

The Enskog transport equation, suitably modified to give the proper short-time behavior, is used to study the phase-space density correlation function of a dense fluid of hard spheres. The method of kinetic models is used to obtain numerical solutions for the dynamic structure factor $S(Q, \ensuremath{\omega})$; in particular, results are obtained for liquid argon. It is found that for the hard-sphere calculations to give a satisfactory description of the available experimental data produced by computer molecular dynamics studies and neutron inelastic scattering measurements, the factor $g({r}_{0})$, the pair distribution at contact, should be replaced by a wavelength-dependent quantity. Moreover, the wavelength dependence determined by fitting the experimental data shows a close correlation with the well-known behavior of the static structure factor $S(Q)$. Possible reasons for a nonlocal $g({r}_{0})$ are discussed.

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The Enskog transport equation, suitably modified to give the proper short-time behavior, is used to study the phase-space density correlation function of a dense fluid of hard spheres. The method of kinetic models is used to obtain numerical solutions for the dynamic structure factor $S(Q, \ensuremath{\omega})$; in particular, results are obtained for liquid argon. It is found that for the hard-sphere calculations to give a satisfactory description of the available experimental data produced by computer molecular dynamics studies and neutron inelastic scattering measurements, the factor $g({r}_{0})$, the pair distribution at contact, should be replaced by a wavelength-dependent quantity. Moreover, the wavelength dependence determined by fitting the experimental data shows a close correlation with the well-known behavior of the static structure factor $S(Q)$. Possible reasons for a nonlocal $g({r}_{0})$ are discussed.

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Available abstract

The Enskog transport equation, suitably modified to give the proper short-time behavior, is used to study the phase-space density correlation function of a dense fluid of hard spheres. The method of kinetic models is used to obtain numerical solutions for the dynamic structure factor $S(Q, \ensuremath{\omega})$; in particular, results are obtained for liquid argon. It is found that for the hard-sphere calculations to give a satisfactory description of the available experimental data produced by computer molecular dynamics studies and neutron inelastic scattering measurements, the factor $g({r}_{0})$, the pair distribution at contact, should be replaced by a wavelength-dependent quantity. Moreover, the wavelength dependence determined by fitting the experimental data shows a close correlation with the well-known behavior of the static structure factor $S(Q)$. Possible reasons for a nonlocal $g({r}_{0})$ are discussed.

Key concepts: Structure factor, Hard spheres, Kinetic energy, Dynamic structure factor, Physics, SPHERES, Omega, Simple (philosophy)

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