Abstract
Molecular dynamics simulation results are reported for single-file self-diffusion in pores of infinite and finite length. The model system involves moderately dense, nonovertaking, hard-sphere fluids in cylindrical pores, and the particle mobility is investigated as a function of time and pore length. It is shown that, while stationary Fickian diffusion in infinitely long pores with diffusely reflecting pore walls is nonexistent, a diffusivity may be defined for single-file pores of finite length. For pores of moderate length, it is also demonstrated that the self-diffusion coefficient scales as 1/√L where L is the pore length.
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