Molecular simulations of water and paracresol in MFI zeolite - A Monte Carlo study

Langmuir

Volumn 25, Issue 19, 2009, Pages 11598-11607

  Narasimhan, L ^a   Boulet, Pascal ^a   Kuchta, Bogdan ^a   Schaef, Oliver ^a   Denoyel, Renaud ^a   Brunet, Philippe ^a  

^a AIX MARSEILLE UNIVERSITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; CANONICAL ENSEMBLE; CHANNEL INTERSECTIONS; CO-ADSORPTION; COOPERATIVE PHENOMENON; EXPERIMENTAL DATA; GCMC SIMULATION; MFI ZEOLITE; MOLECULAR SIMULATIONS; MONTE CARLO SIMULATION; MONTE CARLO STUDY; PER UNIT; SILICALITE-1; THERMODYNAMIC CYCLE;

ADSORPTION; ADSORPTION ISOTHERMS; ATMOSPHERIC TEMPERATURE; CELL MEMBRANES; COMPUTER SIMULATION; DIALYSIS; MONTE CARLO METHODS; SILICATE MINERALS; THERMODYNAMIC PROPERTIES; ZEOLITES;

DEWATERING;

4-CRESOL; CRESOL; PARA CRESOL; WATER; ZEOLITE;

ADSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; MONTE CARLO METHOD; TEMPERATURE; THERMODYNAMICS;

ADSORPTION; CRESOLS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MONTE CARLO METHOD; TEMPERATURE; THERMODYNAMICS; WATER; ZEOLITES;

EID: 70349908140     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la901579u     Document Type: Article

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