High-Throughput Screening of Metal-Organic Frameworks for Kinetic Separation of Propane and Propene

Yohanes Pramudya, Satyanarayana Bonakala, Dmytro Antypov, Prashant Bhatt, Aleksander Shkurenko, Mohamed Eddaoudi, Matthew J. Rosseinsky, Matthew S Dyer

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We apply molecular simulations to screen a database of reported metal-organic framework structures from the Computation-Ready, Experimental (CoRE) MOF database to identify materials potentially capable of separating propane and propene...
Original languageEnglish (US)
JournalPhysical Chemistry Chemical Physics
StatePublished - Oct 6 2020

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