Transport coefficients of the Lennard-Jones model fluid. III. Bulk viscosity

Published

December 15, 2004

Author(s)

Karsten Meier, Arno D. Laesecke, Stephan Kabelac

Abstract

In an extensive computer simulation study, the transport coefficients of the Lennard-Jones model fluid were determined with high accuracy from equilibrium molecular dynamics simulations. In the frame of time-correlation function theory, the generalized Einstein relations were employed to evaluate the transport coefficients. This third of a series of four articles presents the results for the bulk viscosity. With comprehensive simulation data at over 350 state points, the temperature and density dependence of the bulk viscosity is characterized in this work for the first time over such a wide range of fluid states. The bulk viscosity exhibits a large critical enhancement similar to that known for the thermal conductivity, but it extends much farther into the supercritical region and can even be observed at 4.5 times the critical temperature. An investigation of the pressure fluctuation autocorrelatlon functions shows that the enhancement is caused by extremely slowly decaying pressure fluctuations.

Citation

Journal of Chemical Physics

Volume

122

Issue

1

Pub Type

Journals

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Keywords

bulk viscosity, critical enhancement, equilibrium molecular dynamics, Lennard-Jones potential

Citation

Meier, K. , Laesecke, A. and Kabelac, S. (2004), Transport coefficients of the Lennard-Jones model fluid. III. Bulk viscosity, Journal of Chemical Physics, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=50053 (Accessed April 20, 2024)