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Computational study of the effect of functionalization on natural gas components separation and adsorption in NUM-3a MOF

Azita Amouzad Khalili, Saeid Yeganegi

2020Journal of Molecular Graphics and Modelling18 citationsDOI

Topics & Concepts

AdsorptionSelectivityNatural gasGrand canonical ensembleChemistryThermodynamicsPhysical chemistryMonte Carlo methodComputational chemistryOrganic chemistryPhysicsCatalysisMathematicsStatisticsMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesInorganic Fluorides and Related Compounds
Computational study of the effect of functionalization on natural gas components separation and adsorption in NUM-3a MOF | Litcius