Modeling the adsorption of aromatic compounds on the TiO2/SiO2 catalyst

Journal of Molecular Modeling

Volumn 13, Issue 6-7, 2007, Pages 731-737

  Szyja, Bartłmiej ^a   Brodzik, Krzysztof ^a  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Grand Canonical Monte Carlo; Sorption; Titania silica

Indexed keywords

AROMATIC COMPOUND; BENZOIC ACID; PHENOL; SALICYLIC ACID; SILICON DIOXIDE; SORBIC ACID; TITANIUM DIOXIDE; TOLUENE;

ADSORPTION; ARTICLE; CATALYST; CHEMICAL INTERACTION; MONTE CARLO METHOD; PRESSURE; PRIORITY JOURNAL; SIMULATION; TEMPERATURE;

ADSORPTION; BENZOIC ACID; CATALYSIS; COMPUTER SIMULATION; ELECTROSTATICS; MONTE CARLO METHOD; ORGANIC CHEMICALS; PHENOL; PRESSURE; SALICYLIC ACID; SILICON DIOXIDE; SURFACE PROPERTIES; TEMPERATURE; TITANIUM; TOLUENE;

EID: 34347384601     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0189-4     Document Type: Article

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