H2, N2, and CH4 gas adsorption in zeolitic imidazolate framework-95 and -100: Ab initio based grand canonical Monte Carlo simulations

Journal of Physical Chemistry C

Volumn 117, Issue 46, 2013, Pages 24407-24416

  Prakash, Muthuramalingam ^a   Sakhavand, Navid ^a   Shahsavari, Rouzbeh ^a,b  

^a Rice University   (United States)

^b RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION BEHAVIOR; ADSORPTION CAPACITIES; GRAND CANONICAL MONTE CARLO SIMULATION; GUEST MOLECULES; ISOSTERIC HEAT OF ADSORPTION; MULTI-SCALE APPROACHES; WEAK INTERACTIONS; ZEOLITIC IMIDAZOLATE FRAMEWORKS;

FUNCTIONAL GROUPS; GAS ADSORPTION; MONTE CARLO METHODS;

MOLECULES;

EID: 84888589877     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp408075y     Document Type: Article

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