Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/2652
Title: Influence of tert-amine groups on the solubility of polymers in CO2
Authors: Kılıç, Sevgi
Wang, Yang
Johnson, J. Karl
Beckman, Eric J.
Enick, Robert M.
Keywords: Ab initio modeling
Functional polymers
Tertiary amine
CO2-solubility
Publisher: Elsevier Ltd.
Source: Kılıç, 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.2009.03.012
Abstract: There 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.
URI: http://dx.doi.org/10.1016/j.polymer.2009.03.012
http://hdl.handle.net/11147/2652
ISSN: 0032-3861
0032-3861
Appears in Collections:Chemical Engineering / Kimya Mühendisliği
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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