On the calculation by molecular dynamics of the shear viscosity of a simple fluid
- 1 December 1973
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 26 (6), 1475-1484
- https://doi.org/10.1080/00268977300102631
Abstract
An account is given of a steady-state molecular dynamics method for the calculation of the shear viscosity of a dense fluid. The method is applied to the case of a system described by a Lennard-Jones potential with parameters appropriate to argon. Satisfactory agreement with experimental data is found over a range of temperature and density for which the viscosity varies by a factor of approximately 8. The results are interpreted in terms of a modified hard-sphere model and it is shown that the Lennard-Jones fluid obeys a Stokes-type relation in which the effective molecular diameter is close to that deduced from equilibrium structural properties.Keywords
This publication has 15 references indexed in Scilit:
- Structure and Motion in Liquid BeF2, LiBeF3, and LiF from Molecular Dynamics CalculationsThe Journal of Chemical Physics, 1972
- Molecular motions in simple liquidsFaraday Symposia of the Chemical Society, 1972
- Computer "Experiments" on Classical Fluids. III. Time-Dependent Self-Correlation FunctionsPhysical Review A, 1970
- Studies in Molecular Dynamics. VIII. The Transport Coefficients for a Hard-Sphere FluidThe Journal of Chemical Physics, 1970
- The study of simple liquids by computer simulationQuarterly Reviews, Chemical Society, 1970
- Shear viscosity of liquid argonPhysica, 1967
- Calculation on a Corresponding States Basis of the Volume Change on Mixing Simple LiquidsThe Journal of Chemical Physics, 1967
- Velocity Autocorrelations for Hard SpheresPhysical Review Letters, 1967
- Time-Correlation Functions and Transport Coefficients in Statistical MechanicsAnnual Review of Physical Chemistry, 1965
- Isotherms of argon between 0°c and 150°c and pressures up to 2900 atmospheresPhysica, 1949