Removal of hydrogen sulfide from natural gas by the graphene-nanotube hybrid structure: A molecular simulation

The molecular simulations are adopted to investigate the separation of H2S/CH4 mixture by the graphene-nanotube hybrid structure (GNHS). The effects of pressure, temperature and H2S mole fraction on the adsorption and separation behaviors are examined. The results show that the separation performance of the GNHS can be enhanced by reducing the adjacent carbon nanotubes (CNTs) distance. The self-diffusivity of H2S molecules in the GNHS is 1.83 × 10−8 m2 s−1 which is less than that of CH4. Therefore, enlarging the diffusivity discrepancy of the two components can improve the separation performance of the GNHS.