Abstract
We present results from molecular dynamics simulations of single CF4 molecules diffusing in AlPO4-5 pores. The single particle diffusivities measured in these simulations are substantially smaller than the diffusivities that can be extrapolated from available experimental data. We also re-examine our previous smart Monte Carlo simulations of the dual-mode diffusion of Ne and CF4 in AlPO4-5. These results provide conclusive evidence that the presence of CF4 greatly reduces the diffusivity of Ne.
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