Screening of Copper Open Metal Site MOFs for Olefin/Paraffin Separations Using DFT-Derived Force Fields

Journal of Physical Chemistry C

Volumn 120, Issue 40, 2016, Pages 23044-23054

  Kulkarni, Ambarish R ^a   Sholl, David S ^b  

^a Stanford University   (United States)

^b Georgia Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ISOTHERMS; COMPUTATION THEORY; CRYSTALLINE MATERIALS; OLEFINS; ORGANOMETALLICS; SEPARATION;

ADSORPTIVE SEPARATION; COMMODITY CHEMICALS; EFFICIENT PROCESS; IDEAL ADSORBED SOLUTION THEORY; METALORGANIC FRAMEWORKS (MOFS); OLEFIN/PARAFFIN SEPARATIONS; PROPYLENE/PROPANE SEPARATION; SEPARATION TECHNIQUES;

DENSITY FUNCTIONAL THEORY;

EID: 84991660253     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.6b07493     Document Type: Article

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