Molecular simulation studies of CO2 adsorption by carbon model compounds for carbon capture and sequestration applications

Environmental Science and Technology

Volumn 47, Issue 1, 2013, Pages 95-101

  Liu, Yangyang ^a   Wilcox, Jennifer ^a  

^a STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON CAPTURE AND SEQUESTRATIONS; CARBON MODELS; CARBON-BASED; CHARGE ANALYSIS; ELECTRONIC STRUCTURE CALCULATIONS; ENHANCED UPTAKE; FUNCTIONALIZED SURFACES; GRAND CANONICAL MONTE CARLO SIMULATION; MICROPORES; MOLECULAR SIMULATIONS; NON-POLAR; SURFACE FUNCTIONALITIES; SURFACE FUNCTIONALIZATION;

ADSORPTION; CARBON; CARBON CAPTURE; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; MONTE CARLO METHODS; OXYGEN; SURFACE CHEMISTRY;

CARBON DIOXIDE;

CARBON DIOXIDE;

ADSORPTION; CARBON DIOXIDE; CARBON SEQUESTRATION; LOW PRESSURE; METHANE; MOLECULAR ANALYSIS; MONTE CARLO ANALYSIS; OXYGEN; POLARIZATION;

ADSORPTION; ARTICLE; CARBON SEQUESTRATION; CHEMICAL ANALYSIS; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; GEOMETRY; ISOTHERM; MONTE CARLO METHOD; PROCESS OPTIMIZATION; SIMULATION; SURFACE PROPERTY;

ADSORPTION; AIR POLLUTANTS; CARBON DIOXIDE; CARBON SEQUESTRATION; COMPUTER SIMULATION; GRAPHITE; METHANE; MODELS, MOLECULAR; MONTE CARLO METHOD; NITROGEN; POROSITY;

EID: 84871761404     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es3012029     Document Type: Article

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