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• W1985736239 abstract "The strong desire for the wide use of carbon dioxide as an environmentally benign process solvent has spurred a large number of attempts to improve its solubility characteristics. Pioneering experimental work by Beckman and co-workers has pointed to carbonate ether copolymers as promising candidates for nonfluorous surfactants. It is demonstrated here that Gibbs ensemble Monte Carlo simulations (using configurational-bias and double-bridging strategies and the transferable potentials for phase equilibria force field) can be employed to accurately predict the phase equilibria of a carbonate ether copolymer with CO2. The simulations indicate that the greater accessibility of the carbonyl oxygen plays a major role for the CO2-philicity of this copolymer surfactant." @default.
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• W1985736239 date "2005-08-10" @default.
• W1985736239 modified "2023-09-23" @default.
• W1985736239 title "Microscopic Origins for the Favorable Solvation of Carbonate Ether Copolymers in CO₂" @default.
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• W1985736239 doi "https://doi.org/10.1021/ja0510008" @default.
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