文摘
The separation of H2S/CH4 mixture was computationally examined in the composites of ionic liquids (ILs) supported on metal鈥搊rganic frameworks (MOFs) at room temperature. Cu-TDPAT was selected as supporter for four types of ILs combined from identical cation [BMIM]+ with different anions ([Cl]鈭?/sup>, [Tf2N]鈭?/sup>, [PF6]鈭?/sup>, and [BF4]鈭?/sup>). The results show that introducing ILs into Cu-TDPAT can greatly enhance the adsorption affinity toward H2S compared to the pristine MOF, and the strongest enhancement occurs in the composite containing the anion [Cl]鈭?/sup> with the smallest size. The H2S/CH4 adsorption selectivities of each composite are significantly higher than those of the pristine Cu-TDPAT within the pressure range examined, and the selectivity generally shows an increasing trend with increasing the loading of the IL. By further taking the H2S working capacity into account, this work also reveals that the [BMIM][Cl]/Cu-TDPAT composite exhibits the best separation performance in both VSA and PSA processes. These findings may provide useful information for the design of new promising IL/MOF composites applied for H2S capture from natural gas.