Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method

Journal of Chemical Physics

Volumn 133, Issue 14, 2010, Pages

  Hantal, György ^a,b   Picaud, Sylvain ^b   Hoang, Paul N M ^b   Voloshin, Vladimir P ^c   Medvedev, Nikolai N ^c   Jedlovszky, Pál ^a,d,e  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b UNIVERSITÉ DE FRANCHE COMTÉ   (France)

^c INSTITUTE OF CHEMICAL KINETICS AND COMBUSTION   (Russian Federation)

^d INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

^e EKF Department of Chemistry   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED WATER; ADSORPTION ABILITY; ADSORPTION PROPERTIES; CARBON ATOMS; CARBONACEOUS PARTICLES; CARBONACEOUS STRUCTURE; DRIVING FORCES; FULLERENE STRUCTURE; GRAND CANONICAL MONTE CARLO; HYDROGEN BONDING NETWORK; HYDROPHILIC SITES; LOW PRESSURES; MOLECULAR DYNAMICS SIMULATIONS; RANDOMLY DISTRIBUTED; REACTIVE EMPIRICAL BOND ORDERS; SIZE AND SHAPE; SOOT MODEL; SOOT PARTICLES; WATER ADSORPTION; WATER MOLECULE; WATER-WATER;

ADSORPTION; ADSORPTION ISOTHERMS; COMPUTER SIMULATION; DUST; HYDROGEN; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; MONTE CARLO METHODS; OPTIMIZATION; SOOT;

DEWATERING;

EID: 77958095600     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3496466     Document Type: Article

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