DOI: 10.1039/d6cp01558a ISSN: 1463-9076

Alchemical free energy methods for solubility of O 2 , N 2 and CO 2 in perfluorocarbons

Isaac J. Spackman, Haden Cavalli, Steven P. Nixon, Jacob D. States, Shubham Vyas

Solubility of gases in liquids is governed by a complex interplay of electrostatic interactions, entropy, and molecular polarizability.

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