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



Karsten Meier, Arno D. Laesecke, Stephan Kabelac


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.
Journal of Chemical Physics


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


Meier, K. , Laesecke, A. and Kabelac, S. (2004), Transport coefficients of the Lennard-Jones model fluid. III. Bulk viscosity, Journal of Chemical Physics, [online], (Accessed May 26, 2024)


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Created December 14, 2004, Updated October 12, 2021