Molecular dynamics Gibbs free energy calculations for CO2 capture and storage in structure I clathrate hydrates in the presence of SO2, CH4, N2, and H2S impurities

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DOIResolve DOI: http://doi.org/10.1016/j.jct.2011.08.025
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TypeArticle
Journal titleThe Journal of Chemical Thermodynamics
ISSN0021-9614
Volume44
Issue1
Pages512
SubjectClathrate hydrates; Molecular dynamics; Free energy calculations; Carbon dioxide sequestration; Thermodynamic integration; Carbon capture and storage; Sulfur dioxide; Flue gas
Publication date
LanguageEnglish
AffiliationNRC Steacie Institute for Molecular Sciences; National Research Council Canada
Peer reviewedYes
IdentifierS0021961411003016
NPARC number21268785
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Record identifierdadd53cc-0315-4cf4-85e0-5abec1325282
Record created2013-11-13
Record modified2016-05-09
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