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A computational study was firstly performed in this work to examine the applicability of an acid-functionalized metal-organic framework (MOF), UiO-66(Zr)-(COOH)2, in membrane-based H2S/CH4 separation. The results show that this MOF could be potentially interesting when being used as the pure membrane material for the separation of the mixture with low H2S concentration. Further, the performance of...
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