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dc.contributor.authorMondragón Pérez, Fanor-
dc.contributor.authorMontoya Escobar, Alejandro-
dc.contributor.authorTruong, Thanh-
dc.date.accessioned2020-01-18T02:31:56Z-
dc.date.available2020-01-18T02:31:56Z-
dc.date.issued2003-
dc.identifier.citationMondragón-Pérez, F., Montoya-Escobar, A., & Truong, T. (2003). CO2 adsorption on carbonaceous surfaces:a combined experimental and theoretical study. Carbon, 41, 29-39.spa
dc.identifier.issn0008-6223-
dc.identifier.urihttp://hdl.handle.net/10495/13352-
dc.description.abstractABSTRACT: We present an experimental and theoretical study to provide further insight into the mechanism of CO chemisorption on 2 carbonaceous surfaces. The differential heat of CO adsorption at low and high coverages was determined in the temperature 2 range 553–593 K. We found that the heat profile has two distinct energetic zones that suggest two different adsorption processes. In the low-coverage region, the heat of adsorption decreases rapidly from 75 to 24 kcal/mol, suggesting a broad spectrum of binding sites. In the high-coverage region, the heat becomes nearly independent of the loading, from 9 to 5 kcal/mol. A systematic molecular modeling study of CO chemisorption on carbonaceous surfaces was performed. Several 2 of the carbon–oxygen complexes that have been proposed in the literature were identified and characterized. The calculated adsorption energies are within the experimental uncertainty of the heat of adsorption at low coverage. Pre-adsorbed oxygen groups decrease the exothermicity of CO adsorption. In the high-coverage region, our theoretical results suggest that CO 2 2 molecules are likely to adsorb on surface oxygen complexes and on graphene planes.  2003 Elsevier Science Ltd. All rights reserved.spa
dc.format.mimetypeapplication/pdfspa
dc.language.isoengspa
dc.publisherElsevierspa
dc.type.hasversioninfo:eu-repo/semantics/publishedVersionspa
dc.rightsAtribución-NoComercial-SinDerivadas 2.5 Colombia*
dc.rightsinfo:eu-repo/semantics/openAccessspa
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/2.5/co/*
dc.subjectChar-
dc.subjectChemisorption-
dc.subjectGasification-
dc.subjectMolecular simulation-
dc.subjectSurface oxygen complexes-
dc.subjectGasificación-
dc.subjectSimulación molecular-
dc.titleCO2 adsorption on carbonaceous surfaces:a combined experimental and theoretical studyspa
dc.typeinfo:eu-repo/semantics/articlespa
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85spa
dc.rights.accessrightshttp://purl.org/coar/access_right/c_abf2spa
oaire.citationtitleCarbonspa
oaire.citationstartpage29spa
oaire.citationendpage39spa
oaire.citationvolume41spa
oaire.citationissue41spa
dc.rights.creativecommonshttps://creativecommons.org/licenses/by-nc-nd/4.0/spa
dc.publisher.placeReino Unidospa
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1spa
dc.type.redcolhttps://purl.org/redcol/resource_type/ARTspa
dc.type.localArtículo de investigaciónspa
Aparece en las colecciones: CIEN (Centro de Investigaciones en Ciencias Exactas y Naturales)

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