Molecular simulations of water in hydrophobic microporous solids

Adsorption

Volumn 14, Issue 4-5, 2008, Pages 733-742

  Pellenq, Roland J M ^a   Roussel, Thomas ^a   Puibasset, Joël ^b  

^a CNRS   (France)

^b UNIVERSITÉ D'ORLÉANS   (France)

Author keywords

Ab initio periodic calculations; Adsorption; Grand canonical Monte Carlo; Silicalite; Water; Zeolite carbon replica

Indexed keywords

ADSORPTION; HYDROPHOBICITY; MICROPOROSITY; MOLECULAR STRUCTURE;

A-PRIORI; AB INITIO PERIODIC CALCULATIONS; GRAND CANONICAL; GRAND CANONICAL MONTE-CARLO; MICROPOROUS SOLIDS; MOLECULAR SIMULATIONS; MONTE-CARLO; SILICALITE; SILICEOUS ZEOLITES; WATER; WATER ADSORPTION; ZEOLITE CARBON REPLICA;

DEWATERING;

EID: 51849158713     PISSN: 09295607     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10450-008-9135-8     Document Type: Article

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