Browsing Faculty of Natural and Agricultural Sciences by Subject "Grand canonical Monte Carlo simulations"
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Modelling sorption and diffusion of NF3 and CF4 in Teflon AF perfluoropolymer membranes
(Elsevier, 2014)Molecular dynamics (MD) and grand canonical Monte Carlo (GCMC) simulations with Teflon AF2400 and Teflon AF1600 predicted diffusivities and solubilities of He and N2 that corresponded reasonably with available experimental ...