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dc.contributor.authorKılıç, Sevgi
dc.contributor.authorWang, Yang
dc.contributor.authorJohnson, J. Karl
dc.contributor.authorBeckman, Eric J.
dc.contributor.authorEnick, Robert M.
dc.date.accessioned2016-12-22T11:21:28Z
dc.date.available2016-12-22T11:21:28Z
dc.date.issued2009-05
dc.identifier.citationKılıç, S., Wang, Y., Johnson, J.K., Beckman, E.J., and Enick, R.M. (2009). Influence of tert-amine groups on the solubility of polymers in CO2. Polymer, 50(11), 2436-2444. doi:10.1016/j.polymer.2009.03.012en_US
dc.identifier.issn0032-3861
dc.identifier.urihttp://dx.doi.org/10.1016/j.polymer.2009.03.012
dc.identifier.urihttp://hdl.handle.net/11147/2652
dc.description.abstractThere is a need to develop new, non-fluorous polymers that are highly soluble in CO2. Experimental evidence indicates that tertiary amine and pyridine groups may exhibit favorable Lewis acid-Lewis base type interactions with CO2. It is therefore reasonable to assume that incorporation of tertiary amines into the side chain or backbone of non-fluorous polymers may impart a degree of CO2-solubility to the polymer. We present experimental results for eight different tert-amine-containing polymers. Of these polymers, only propyl dimethylamine-functionalized poly(dimethylsiloxane) is soluble in CO2 at temperatures and pressures accessible in our experiments, but even this polymer is less soluble than non-functionalized poly(dimethylsiloxane) at the same chain length. We have performed ab initio calculations on tertiary amine-containing moieties representative of some of the polymers examined experimentally. Our calculations confirm that amine-CO2 interactions are indeed energetically favorable. However, we also find that the moiety self-interactions are typically more favorable than the CO2-moiety interactions. This indicates that the lack of solubility of amine-containing polymers in CO2 is a direct result of strong polymer-polymer interactions.en_US
dc.description.sponsorshipU.S. Department of Energy, National Energy Technology Laboratory under Grant No. 41817M203841817M2000en_US
dc.language.isoengen_US
dc.publisherElsevieren_US
dc.relation.isversionof10.1016/j.polymer.2009.03.012en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectAb initio modelingen_US
dc.subjectFunctional polymersen_US
dc.subjectTertiary amineen_US
dc.subjectCO2-solubilityen_US
dc.titleInfluence of tert-amine groups on the solubility of polymers in CO2en_US
dc.typearticleen_US
dc.contributor.authorIDTR113900en_US
dc.contributor.iztechauthorKılıç, Sevgi
dc.relation.journalPolymeren_US
dc.contributor.departmentIzmir Institute of Technology. Chemical Engineeringen_US
dc.identifier.volume50en_US
dc.identifier.issue11en_US
dc.identifier.startpage2436en_US
dc.identifier.endpage2444en_US
dc.identifier.wosWOS:000266319100012
dc.identifier.scopusSCOPUS:2-s2.0-65549125431
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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