The study of water–hydrocarbon phase equilibria is very important for both scientific and industrial purposes. This work a thorough investigation the predictive capability SAFT-VR Mie equation state (EoS) aqueous hydrocarbon equilibria, including n-alkanes, alkenes, cycloalkanes, branched alkanes, aromatic hydrocarbons. For alkenes alkyl benzenes, induced association (solvation) with water cons...

The SAFT-VR DFT Helmholtz free energy functional developed by Gloor et al., [J. Chem. Phys. 121, 12740 (2004)] is revisited and generalised to treat mixtures. The functional, which is based on the statistical associating fluid theory for attractive potentials of variable range (SAFT-VR) for homogeneous fluids, is constructed by partitioning the free energy density into a reference term (which i...

We develop a classical density functional for water which combines the White Bear fundamentalmeasure theory (FMT) functional for the hard sphere fluid with attractive interactions based on the Statistical Associating Fluid Theory (SAFT-VR). This functional reproduces the properties of water at both long and short length scales over a wide range of temperatures, and is computationally efficient,...

We have performed a combined experimental and theoretical study of the thermodynamic properties of semifluorinated alkanes. In particular, the liquid density of perfluorohexylhexane (F6H6) and perfluorohexyloctane (F6H8) has been measured as a function of temperature from 273.15 to 353.15 K and at four temperatures as a function of pressure up to 600 bar. The results were interpreted using the ...

We develop a classical density functional for water which combines the White Bear fundamental-measure theory (FMT) functional for the hard sphere fluid with attractive interactions based on the statistical associating fluid theory variable range (SAFT-VR). This functional reproduces the properties of water at both long and short length scales over a wide range of temperatures and is computation...

A Helmholtz free energy density functional is developed to describe the vapor-liquid interface of associating chain molecules. The functional is based on the statistical associating fluid theory with attractive potentials of variable range (SAFT-VR) for the homogenous fluid [A. Gil-Villegas, A. Galindo, P. J. Whitehead, S. J. Mills, G. Jackson, and A. N. Burgess, J. Chem. Phys. 106, 4168 (1997)...

The influence and importance of the relative static permittivity (RSP) in electrolyte equations state is examined for case aqueous sodium chloride. Using SAFT-VR Mie model, Debye-Hückel (DH) or Mean-Spherical Approximation (MSA) terms, as well Born-solvation term, are used to formulate an equation state. RSP obtained from a variety models, each differing their dependencies; we consider constant...