Journal
PHYSICAL REVIEW E
Volume 62, Issue 5, Pages 6942-6948Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.62.6942
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The nonequilibrium molecular dynamics simulations of transport and separation of a binary gas mixture through a porous membrane with interconnected pores of distributed sizes are reported. The membrane is modeled by a three-dimensional disordered molecular network of interconnected pores consisting of tens of thousands of atoms, based on a Voronoi tessellation of space. Results are presented for transport and adsorption of the gases, including the existence of an optimal pore structure for maximum separation of the gases.
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