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The application of several porous solids for the purification of methane, representing natural gas, from H 2 S 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 CH 4 /H 2 S 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 H 2 S from CH 4 .

Porous material adsorbents ZIF-8, ZIF-67, Co/Zn-ZIF and MIL-127(Fe) for separation of H 2 S from a H 2 S/CH 4 mixture