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Computational screening of metal-organic frameworks for membrane-based CO2/N-2/H2O separations: best materials for flue gas separation
chemistry; science and technology; materials science, zeolitic imidazolate frameworks; molecular-dynamics simulations; vapor-liquid-equilibria; carbon-dioxide; ch4/h-2 separations; capture properties; mof membranes; force-field; co2; adsorption
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