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dc.contributor.authorTrinh, Thuat
dc.contributor.authorvan Erp, Titus Sebastiaan
dc.contributor.authorBedeaux, Dick
dc.contributor.authorKjelstrup, Signe
dc.contributor.authorGrande, Carlos Adolfo
dc.date.accessioned2017-10-30T15:18:47Z
dc.date.available2017-10-30T15:18:47Z
dc.date.created2015-03-09T19:50:40Z
dc.date.issued2015
dc.identifier.citationPhysical Chemistry, Chemical Physics - PCCP. 2015, 17 (12), 8223-8230.nb_NO
dc.identifier.issn1463-9076
dc.identifier.urihttp://hdl.handle.net/11250/2462975
dc.description.abstractThermodynamic equilibrium for adsorption means that the chemical potential of gas and adsorbed phase are equal. A precise knowledge of the chemical potential is, however, often lacking, because the activity coefficient of the adsorbate is not known. Adsorption isotherms are therefore commonly fitted to ideal models such as the Langmuir, Sips or Henry models. We propose here a new procedure to find the activity coefficient and the equilibrium constant for adsorption which uses the thermodynamic factor. Instead of fitting the data to a model, we calculate the thermodynamic factor and use this to find first the activity coefficient. We show, using published molecular simulation data, how this procedure gives the thermodynamic equilibrium constant and enthalpies of adsorption for CO2(g) on graphite. We also use published experimental data to find similar thermodynamic properties of CO2(g) and of CH4(g) adsorbed on activated carbon. The procedure gives a higher accuracy in the determination of enthalpies of adsorption than ideal models do.nb_NO
dc.language.isoengnb_NO
dc.publisherRoyal Society of Chemistrynb_NO
dc.titleA procedure to find thermodynamic equilibrium constants for CO2 and CH4 adsorption on activated carbonnb_NO
dc.typeJournal articlenb_NO
dc.typePeer reviewednb_NO
dc.description.versionacceptedVersionnb_NO
dc.source.pagenumber8223-8230nb_NO
dc.source.volume17nb_NO
dc.source.journalPhysical Chemistry, Chemical Physics - PCCPnb_NO
dc.source.issue12nb_NO
dc.identifier.doi10.1039/c5cp00388a
dc.identifier.cristin1230679
dc.relation.projectNotur/NorStore: nn9229knb_NO
dc.relation.projectNotur/NorStore: nn4504knb_NO
dc.relation.projectNorges forskningsråd: 209337nb_NO
dc.description.localcode© The Royal Society of Chemistry 2015. This is the authors accepted and refereed manuscript to the article.nb_NO
cristin.unitcode194,66,25,0
cristin.unitnameInstitutt for kjemi
cristin.ispublishedtrue
cristin.fulltextpostprint
cristin.qualitycode2


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