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Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations
(Royal Society of Chemistry, 2018-04-14)
Design of new membranes having high H2/CH4 selectivity and high H2 permeability is strongly desired to reduce the energy demand for H2 production. Metal organic frameworks (MOFs) offer a great promise for membrane-based ...
Database for CO2 separation performances of MOFs based on computational materials screening
(American Chemical Society, 2018-05-23)
Metal-organic frameworks (MOFs) are potential adsorbents for CO2 capture. Because thousands of MOFs exist, computational studies become very useful in identifying the top performing materials for target applications in a ...
High-throughput computational screening of the metal organic framework database for CH4/H-2 separations
(American Chemical Society, 2018-01)
Metal organic frameworks (MOFs) have been considered as one of the most exciting porous materials discovered in the last decade. Large surface areas, high pore volumes, and tailorable pore sizes make MOFs highly promising ...
High-throughput molecular simulations of metal organic frameworks for co2 separation: opportunities and challenges
(Frontiers Media, 2018-02-02)
Metal organic frameworks (MOFs) have emerged as great alternatives to traditional nanoporous materials for CO2 separation applications. MOFs are porous materials that are formed by self-assembly of transition metals and ...
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