Molecular simulation of collection of methane isotherms in carbon material using all-atom and united atom models

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Volumn 357, Issue 1-3, 2010, Pages 53-60

  Lucena, Sebastião M P ^a   Frutuoso, Luis F A ^a   Silvino, Pedro F G ^a   Azevedo, Diana C S ^a   Toso, J P ^b   Zgrablich, G ^b   Cavalcante Jr , Célio L ^a  

^a FEDERAL UNIVERSITY OF CEARÁ   (Brazil)

^b UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

Author keywords

Activated carbon; All atom model; Methane adsorption; Monte Carlo simulations; Pore size distribution

Indexed keywords

ADSORPTION; ATOMS; COMPUTER SIMULATION; GRAPHITE; ISOTHERMS; METHANE; MICROPOROSITY; MONTE CARLO METHODS; PARAMETERIZATION; PORE SIZE; PULSE SHAPING CIRCUITS; SIZE DISTRIBUTION;

ALL-ATOM MODEL; CARBON MATERIAL; EXPERIMENTAL DATA; GRAND CANONICAL MONTE CARLO; GRAPHENE LAYERS; GRAPHITE SURFACES; GRAPHITIC SLIT PORES; INTERNAL STRUCTURE; METHANE ADSORPTION; METHANE MOLECULES; MICROPOROUS CARBONS; MOLECULAR SIMULATIONS; MONTE CARLO SIMULATION; MONTE CARLO SIMULATIONS; PARAMETERIZATIONS; UNITED ATOMS;

ACTIVATED CARBON;

ACTIVATED CARBON; CARBON; GRAPHENE; GRAPHITE; METHANE;

ADSORPTION; ARTICLE; CALIBRATION; ENVIRONMENTAL TEMPERATURE; GRAVIMETRY; ISOTHERM; MASS FRAGMENTOGRAPHY; MONTE CARLO METHOD; PARTICLE SIZE; PRIORITY JOURNAL;

EID: 77049091552     PISSN: 09277757     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.colsurfa.2009.12.015     Document Type: Article

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