Molecular dynamics Gibbs free energy calculations for CO2 capture and storage in structure i clathrate hydrates in the presence of SO 2, CH4, N2, and H2S impurities

Journal of Chemical Thermodynamics

Volumn 44, Issue 1, 2012, Pages 5-12

  Nohra, Michael ^a   Woo, Tom K ^a   Alavi, Saman ^a,b   Ripmeester, John A ^b  

^a UNIVERSITY OF OTTAWA   (Canada)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

Carbon capture and storage; Carbon dioxide sequestration; Clathrate hydrates; Flue gas; Free energy calculations; Molecular dynamics; Sulfur dioxide; Thermodynamic integration

Indexed keywords

CARBON CAPTURE AND STORAGE; CARBON DIOXIDE SEQUESTRATION; CLATHRATE HYDRATE; FREE ENERGY CALCULATIONS; THERMODYNAMIC INTEGRATION;

FLUE GASES; FLUES; FOSSIL FUELS; FREE ENERGY; GAS HYDRATES; GASES; GIBBS FREE ENERGY; HYDRATION; IMPURITIES; INTEGRATION; MOLECULAR DYNAMICS; NATURAL GAS; REACTION KINETICS; STORAGE (MATERIALS); SUBSTITUTION REACTIONS; SULFUR; SULFUR DIOXIDE; THERMODYNAMICS;

CARBON DIOXIDE;

EID: 80053990612     PISSN: 00219614     EISSN: 10963626     Source Type: Journal    
DOI: 10.1016/j.jct.2011.08.025     Document Type: Article

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