2017 Annual Meeting
(629d) A Statistical Associating Fluid Theory (SAFT) Framework for Aqueous Nonionic Surfactant Systems
The SAFT approach [2] has been successfully applied to correlate and/or predict thermodynamic properties and phase behavior of a wide range of pure fluids and mixtures. This work draws on the SAFT methodology and develops a theoretically-based expression for the free energy of species interaction that replaces the mean field expression in Puvvada and Blankschteinâs original formulation [2]. A main feature of the new model is a recently proposed equation of state [3] for the repulsive free energy contribution. We show in this talk several examples of the combined modelâs predictive ability for micellar and bulk aqueous solution properties of surfactants from the polyoxyethylene glycol monoether and glucoside families.
References
[1]. Puvvada, S. and D. Blankschtein, Molecular-Thermodynamic Approach to Predict Micellization, Phase Behavior and Phase Separation of Micellar Solutions. I. Application to Nonionic Surfactants, J. Chem. Phys. 92, 3710-3724 (1990).
[2]. Muller, E. A. and K. E. Gubbins, Molecular-Based Equations of State for Associating Fluids: A Review of SAFT and Related Approaches, Ind. Eng. Chem. Res. 40, 2193-2211 (2001).
[3]. Gow, A. S., S. Alkhaldi and S. Demir, Cubic and Quartic Hard-Sphere and Lennard-Jones Chain Equations of State as Foundations for Complex Fluid Modeling, Fluid Phase Equilibria 399, 1-15 (2015).