Molecular simulation of binary mixture adsorption in buckytubes and MCM-41

Adsorption

Volumn 2, Issue 1, 1996, Pages 23-32

  Maddox, M W ^a   Sowers, S L ^a   Gubbins, K E ^a  

^a Cornell University   (United States)

Author keywords

Adsorption; Buckytube; DFT; GCMC; MCM 41; Simulation

Indexed keywords

ADSORBENTS; BINARY MIXTURES; CALCULATIONS; COMPUTER SIMULATION; GRAPHITE; METHANE; MOLECULAR DYNAMICS; MONTE CARLO METHODS; NITROGEN; POROUS MATERIALS; PROPANE; SILICATES;

BUCKYTUBES; CARBON TUBES; GRAPHITE TUBES; IDEAL ADSORBED SOLUTION THEORY; MCM 41; MESOPOROUS SILICATE MATERIALS; MOLECULAR SIMULATION; NONLOCAL DENSITY FUNCTIONAL THEORY; PORE SIZE;

ADSORPTION;

EID: 0029757220     PISSN: 09295607     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00127095     Document Type: Article

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