Supercritical carbon dioxide is a promising green solvent for both reactions and separations; however, it dissolves polar and ionic compounds only slightly.  To solve this problem, polymer surfactants such as poly(vinyl acetate) have been found to improve solubility of these species – however, they are not yet robust enough for widespread adoption.  Here, we focus on examining the Lewis acid-base interactions that are thought to be important in explaining the relatively high solubility of poly(vinyl acetate) in supercritical carbon dioxide.  Through the use of molecular simulations, several polymer architectures are investigated over a range of relevant pressure and temperature values.  Results are characterized in terms of polymer-solvent interactions and solvation structures and compared to experimental solubility measurements.

Towards using supercritical carbon dioxide as a green solvent with poly(vinyl acetate) additive: Molecular simulation study

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.