Molecular dynamical calculations on the transport properties of a square-well fluid

J.P.J. Michels and N.J. Trappeniers

Physica A: Statistical Mechanics and its Applications, 1981, vol. 107, issue 2, 299-306

Abstract: The coefficients of the viscosity and thermal conductivity for a system consisting of square-well molecules have been determined at constant temperature as a function of the well-width. The densities considered in these calculations range from rather low values up to a density which is just below the fluid-solid phase transition. The superposition of even a narrow attractive well on hard spheres has a significant influence on the viscosity. An influence is also seen on the kinetic, the potential and the cross terms of the thermal conductivity, but these terms partially cancel each other. Moreover, short time effects in the correlation functions for the potential terms have been found.

Date: 1981
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:107:y:1981:i:2:p:299-306

DOI: 10.1016/0378-4371(81)90090-X

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