H2/CH4 Gas Separation Using Graphene Drilled With Elliptical Pores

Previous studies have considered nanoporous graphene (NPG) drilled with circular/regular pore, and have shown that only pore-10 is H2 selective. However, the hydrogen permeance through this pore is low, meaning that the hydrogen yield is low. In order to extend the selectivity range, we considered pores of elliptical/irregular geometries. Using molecular dynamics simulations, we simulated pores-10 to 20, all with a very elongated geometry, and have shown that these pores exhibit large H2 permeance and negligible CH4 permeances. This implies that these pores produce large hydrogen selectivity with high hydrogen yields. Thus, an NPG membrane designed in this manner could revolutionize hydrogen separation in the industry, by providing a more efficient and environmentally friendly method.