Study the Gas Separation Performance of Porous Graphene Membranes by Molecular Dynamics Simulation

We used porous graphene, which is graphene having tailored pores in its sheet, is suggested as possiblemembrane materials for separating gas mixtures with both high permeance and high selectivity. Molecular dynamicssimulations with full atomistic resolutions illustrating that porous graphene having nitrogen-functionalized pores caneffectively separate mixtures of CO2/CH4 rather than hydrogen-functionalized pores. Furthermore, high CO2 flux incombination with high CO2/CH4 selectivity propose graphene with fine tuning functionalized pores as a promisingmembrane for the gas separations.

کلیدواژه ها:

Porous Graphene ، Membrane ، Molecular Dynamics Simulation ، Separation Selectivity