Vapor−Liquid and Vapor−Liquid−Liquid Equilibria of Carbon Dioxide/n-Perfluoroalkane/n-Alkane Ternary Mixtures

• Published in: The journal of physical chemistry. B Vol. 109; no. 7; pp. 2899 - 2910
• Main Authors: Colina, Coray M, Gubbins, Keith E
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 24.02.2005
• ISSN: 1520-6106; 1520-5207
• DOI: 10.1021/jp046612d

Perfluoroalkanes have numerous applications (e.g., in the medical field and the chemical industry), and their high affinity for carbon dioxide makes them attractive as surfactants and cosolvents. Although research in this area has grown in the past few years, very little phase-equilibrium data is available in the open literature for these systems. In this work, we present, for the first time, predictions of vapor−liquid and vapor−liquid−liquid equilibria of binary and ternary systems of carbon dioxide/n-perfluoroalkane/n-alkane. Our results are based on the SAFT-VR EOS (statistical associating fluid theory of variable range, equation of state), and we study the influence of temperature, pressure, composition, and chain length on the phase diagram. The predicted phase diagrams are based on temperature-independent binary interaction parameters, and no ternary parameters are introduced. Comparisons to the available experimental and molecular simulation data show that the predicted diagrams should provide a good representation of the phase equilibria.