The self-diffusion coefficient of liquid methane
H. J. M. HanleyCryogenics Division , National Bureau of Standards , Boulder, Colorado, U.S.A. ; Diffusion Research Unit , Australian National University , Canberra, A.C.T., AustraliaR.O. WattsComputer Centre, The Australian National University , Canberra, Australia
1975en
ABI
Abstract
Self-diffusion coefficients of methane have been calculated over a wide density range using the method of molecular dynamics. Methane intermolecular interactions were modelled using an m-6–8 potential with coefficients determined from viscosity data for the dilute gas. After adding a contribution to the diffusion coefficient due to the long-time behaviour of the velocity autocorrelation function, agreement with experimental data is within the estimated errors given for both the calculated values and the experimental data.
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