Single-gas and mixed-gas permeation of N<sub>2</sub>/CH<sub>4</sub> in thermally-rearranged TR-PBO membranes and their 6FDA-bisAPAF polyimide precursor studied by molecular dynamics simulations
I. Tanis, David Brown, Sylvie Neyertz, Milind M. Vaidya, Jean-Pierre Ballaguet, Sébastien Duval, Ahmad A. Bahamdan
Abstract
increased under mixed-gas conditions. This confirms that single-gas simulations are not sufficient for the prediction of the actual mixed-gas permselectivity behaviour in such polymers.
Topics & Concepts
PermeationPolyimideSorptionMolecular dynamicsPenetrant (biochemical)PolymerThermodynamicsMaterials scienceGaseous diffusionMoleculeThermal diffusivityMembraneChemistryPolymer chemistryPhysical chemistryComputational chemistryOrganic chemistryPhysicsNanotechnologyAdsorptionBiochemistryLayer (electronics)ElectrodeMembrane Separation and Gas TransportMuon and positron interactions and applicationsFuel Cells and Related Materials