Abstract
ABSTRACT The application of several porous solids for the purification of methane, representing natural gas, from H2S is studied. Computer simulations yield adsorption isotherms and separation selectivity. All investigated materials are suited for the separation, but with different efficiency. For MIL-127(Fe) the selectivity CH4/H2S reaches values of about 250 at 2 bar and 250 K. The results can be initially concluded that the potential energy of each gas/material pair, free space inside the material and metal oxide are important keys for adsorption and separation of H2S from CH4.
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