Design and Evaluation of Nonfluorous CO2-Soluble Oligomers and Polymers

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• 作者：Yang Wang ; Lei Hong ; Deepak Tapriyal ; In Chul Kim ; Ik-Hyeon Paik ; Jacob M. Crosthwaite ; Andrew D. Hamilton ; Mark C. Thies ; Eric J. Beckman ; Robert M. Enick ; J. Karl Johnson
• 刊名：Journal of Physical Chemistry B
• 出版年：2009
• 出版时间：November 12, 2009
• 年：2009
• 卷：113
• 期：45
• 页码：14971-14980
• 全文大小：331K
• 年卷期：v.113,no.45(November 12, 2009)
• ISSN：1520-5207

文摘

Ab initio molecular modeling is used to design nonfluorous polymers that are potentially soluble in liquid CO₂. We have used calculations to design three nonfluorous compounds meant to model the monomeric repeat units of polymers that exhibit multiple favorable binding sites for CO₂. These compounds are methoxy isopropyl acetate, 2-methoxy ethoxy-propane, and 2-methoxy methoxy-propane. We have synthesized oligomers or polymers based on these small compounds and have tested their solubility in CO₂. All three of these exhibit appreciable solubility in CO₂. At 25 °C, oligo(3-acetoxy oxetane)₆ is 5 wt % soluble at 25 MPa, the random copolymer (vinyl methoxymethyl ether₃₀-co-vinyl acetate₉) is 5 wt % soluble at 70 MPa and random copolymer (vinyl 1-methoxyethyl ether₃₀-co-vinyl acetate₉) is 3 wt % soluble at 120 MPa. These oligomers and polymers represent new additions to the very short list of nonfluorous CO₂-soluble polymers. However, none of these are more soluble than poly(vinyl acetate), which exhibits the highest CO₂ solubility of any known polymer containing only the elements C, H, and O.