An interfacial statistical associating fluid theory (iSAFT) approach for surface/interfacial tension predictions

Interfacial properties play an important role in many industrial processes and in the design of new materials. A fundamental understanding of interfacial phenomena and predictive tools that predict interfacial properties can greatly facilitate new process material design. In this work, we propose an extension to the original interfacial Statistical Associating Fluid Theory (iSAFT) by Tripathi and Chapman [1]. This resulting classical Density Functional Theory (DFT) reduces to PC-SAFT equation of state in the bulk limit. It accepts PC-SAFT parameter values as input and predicts interfacial properties. The model is applied to vapor-liquid interfaces and liquid-liquid interfaces of both non-associating and associating fluids and the predicted surface/interfacial tensions agree very well with experimental data. (C) 2018 Elsevier B.V. All rights reserved.