Equilibrium molecular dynamics simulations were used to calculate the self-diffusion coefficients of fluid methane confined in mica slit pores for various temperatures, densities and pore widths. Based upon the Chapman-Enskog theory and Heyes relationships, two simple correlation models which could describe the self-diffusion coefficient of fluid methane in mica slit pore were also proposed as a function of the temperature, density and pore width. Both models were written in terms of Lennard-Jones dimensionless variables, which were defined in terms of the Lennard-Jones parameters. These parameters were meaningful at the molecular level. The validity of these models was evaluated by comparison with calculated self-diffusion coefficient data at different state points. The average error of both models was usually less than 13%.

Diffusion of Methane in a Mica Slit Pore: Molecular Dynamics Simulations and Correlation Models. Yu, Y., Zhang, B.J.: Physics Letters A, 2007, 364[3-4], 313-7