An efficient multi-scale lattice model approach to screening nano-porous adsorbents

Journal of Chemical Physics

Volumn 137, Issue 24, 2012, Pages

  Yu, Kuang ^a   McDaniel, Jesse G ^a   Schmidt, J R ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC POTENTIAL; ATOMISTIC SIMULATIONS; COARSE-GRAINED; HIGH-THROUGHPUT SCREENING; LATTICE APPROACHES; LATTICE MODELS; LOW PRESSURES; METAL ORGANIC FRAMEWORK; MULTISCALES; NANO-POROUS; NON-POLAR; ORDERS-OF-MAGNITUDE; QUALITATIVE SCREENING; QUANTITATIVE AGREEMENT; SPECIFIC ADSORPTION;

ADSORBATES; CARBON DIOXIDE; CRYSTAL LATTICES; CRYSTALLINE MATERIALS; HYDROCARBONS; POROUS MATERIALS; TRANSPORT PROPERTIES; ZEOLITES;

ADSORPTION;

EID: 84872007864     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4769879     Document Type: Article

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