We study the separation process of gaseous H2O/CH4 mixtures using nanoporous graphene membranes via molecular dynamics simulations. We run the simulation in an equilibrium system 10 times with different initial atomic velocities to overcome the inefficiency brought by the low pressure of the system. The results show that the H2O molecules can permeate the graphene membrane with a linearly time-dependent crossing number. The permeance of the H2O molecules reaches to 9.5×10−4 mol/m2sPa, far exceeding that of the polymer gas separation membranes. High selectivity of H2O over CH4 is also observed. In summary, this study demonstrates that the specific NPG cloud be adopted as an efficient membrane in natural gas dehydration.

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