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Axial Diffusion of Simple Gases in Nanotubes: Modeling and Simulation

Jonathan Pappas and E. Bruce Nauman. Isermann Department of Chemical and Biological Engineering, Rensselaer Polytechnic Institute, 110 8th St., Ricketts Bldg., Troy, NY 12180

A novel model for describing axial diffusion of simple gases is developed and compared to molecular dynamics simulations. An oscillatory model of fluid interaction along with a semi-empirical correlation for wall friction is determined to accurately predict molecular transport at low densities where fluid motion is controlled by fluid-wall interaction.Axial transport is also effected by temperature and nanotube geometry.