Influence of tert-amine groups on the solubility of polymers in CO2 |
| |
Authors: | Sevgi Kilic Yang Wang Eric J Beckman |
| |
Affiliation: | a Department of Chemical Engineering, Izmir Institute of Technology, Urla 35430, Izmir, Turkey b Department of Chemical Engineering, University of Pittsburgh, Pittsburgh, PA 15261, USA c National Energy Technology Laboratory, Pittsburgh, PA 15236, USA |
| |
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. |
| |
Keywords: | Tertiary amine CO2-solubility Ab initio modeling |
本文献已被 ScienceDirect 等数据库收录! |
|