Modeling the liquid-liquid equilibria of water plus fluorocarbons with the cubic-plus-association equation of state

Mariana B. Oliveira, Mara G. Freire, Isabel M. Marrucho, Georgios Kontogeorgis, António J. Queimada, João A.P. Coutinho

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Fluorocarbons (FCs) are a family of chemicals that are composed primarily of carbon and fluorine. They present weak intermolecular and strong intramolecular interactions, which confers them unusual thermophysical properties. They can also solubilize large amounts of gases such as oxygen and carbon dioxide, making them interesting for several biomedical applications. In most of these applications, water or aqueous systems are present for which the knowledge of the mutual solubilities between the fluorocarbons and the aqueous phases is important. In this work, the application of the cubic-plus-association equation of state (CPA EoS) has been extended to binary mixtures of water with several linear, cyclic, aromatic, and substituted fluorocarbons. The CPA EoS was successfully used to model the liquid-liquid equilibria of aqueous mixtures that contain FCs, while also being able to describe the cross-association phenomena between substituted and aromatic FCs and water. It is shown that, for aliphatic perfluorocarbons, CPA can be used without any mixture binary parameter to predict the water solubility.
Original languageEnglish
JournalIndustrial & Engineering Chemistry Research
Issue number4
Pages (from-to)1415-1420
Publication statusPublished - 2007

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