Unprecedentedly high selective adsorption of gas mixtures in rho zeolite-like metal-organic framework: A molecular simulation study

Journal of the American Chemical Society

Volumn 131, Issue 32, 2009, Pages 11417-11425

  Babarao, Ravichandar ^a   Jiang, Jianwen ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION SITE; AMBIENT TEMPERATURES; ELECTROSTATIC INTERACTIONS; EXTRAFRAMEWORK; GAS SEPARATIONS; METAL ORGANIC FRAMEWORK; MOLECULAR SIMULATIONS; NANOPOROUS MATERIALS; RHO ZEOLITE; SELECTIVE ADSORPTION; SIMULATION RESULT; SIMULATION STUDIES; SYN-GAS;

ADSORPTION; BINDING ENERGY; COMPUTER SIMULATION; FLUE GASES; GAS INDUSTRY; GAS MIXTURES; IONS; MOLECULAR STRUCTURE; SEPARATION; ZEOLITES;

BINDING SITES;

CARBON DIOXIDE; DEUTERIUM; METAL ORGANIC FRAMEWORK; METHANE; NANOMATERIAL; NITROGEN; SODIUM ION; ZEOLITE;

ADSORPTION; ARTICLE; BINDING SITE; CHEMICAL BOND; CHEMICAL MODEL; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ENVIRONMENTAL TEMPERATURE; NANOPORE; PRESSURE; SIMULATION;

EID: 68849125843     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja901061j     Document Type: Article

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