Modeling the selectivity of indoor pollution gases over N2 on covalent organic frameworks

Journal of Molecular Modeling

Volumn 20, Issue 7, 2014, Pages

  Li, Wenliang ^a   Pang, Yujia ^a   Zhang, Jingping ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

Covalent organic framework; DFT D2; GCMC; Indoor pollution gases

Indexed keywords

BENZENE; COVALENT ORGANIC FRAMEWORK; FORMALDEHYDE; NITROGEN; ORGANIC COMPOUND; TOLUENE; UNCLASSIFIED DRUG; AIR POLLUTANT; GAS; VOLATILE ORGANIC COMPOUND;

ADSORPTION KINETICS; ARTICLE; CHEMICAL COMPOSITION; DENSITY FUNCTIONAL THEORY; DISPERSION; HYDROGEN BOND; INDOOR AIR POLLUTION; MONTE CARLO METHOD; PARTICLE SIZE; PRIORITY JOURNAL; ADSORPTION; AIR POLLUTANT; BUILDING MATERIAL; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; GAS; POROSITY; TEMPERATURE;

ADSORPTION; AIR POLLUTANTS; AIR POLLUTION, INDOOR; BENZENE; COMPUTER SIMULATION; CONSTRUCTION MATERIALS; FORMALDEHYDE; GASES; MODELS, CHEMICAL; MODELS, MOLECULAR; MONTE CARLO METHOD; NITROGEN; POROSITY; TEMPERATURE; TOLUENE; VOLATILE ORGANIC COMPOUNDS;

EID: 84903360647     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2346-x     Document Type: Article

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