The simplified perturbed chain statistical associating fluid theory (sPC-SAFT) Equation of State (EOS) was proposed to describe the thermodynamic properties of pure ionic liquids (ILs). A set of sPC-SAFT parameters for 2 ILs was obtained by fitting the experimental liquid densities data over a wide range of temperature at atmospheric pressure. Good agreement with experimental density data was o...

The phase behavior of nitrogen + n-alkanes is studied within the framework of the statistical associating fluid theory for potentials of variable range (SAFT-VR). The effect of the quadrupole moment of nitrogen on the phase behavior is considered through an extension of the SAFT-VR equation that includes an additional contribution to the Helmholtz free energy due to quadrupolar interactions. A ...

A statistical associating fluid theory to model electrolyte fluids that explicitly accounts for solvent molecules by modeling water as a dipolar square-well associating fluid is presented. Specifically the statistical associating fluid theory for potentials of variable range (SAFT-VR) is combined with integral equation theory and the generalized mean spherical approximation using the nonprimiti...

In this work, we extend the pure fluid crossover statistical associating fluid theory (HRX-SAFT) equation of state (EOS) (Kiselev et al., Fluid Phase Equilib. 2001, 183-184, 53) to fluid mixtures of polar and associating components. HRX-SAFT incorporates non-analytic scaling laws in the critical region and is transformed into the analytical, classical HR-SAFT EOS far away from the critical poin...

Molecular dynamics (MD) simulations of direct and derivative thermodynamic properties of the Mie n-6 fluid (n=8, 10, and 12) have been performed for liquid to supercritical states. Using the results, an in depth test of the monomer-monomer interaction estimation of a recently derived statistical associating fluid theory of variable range (SAFT-VR) equation of state [Lafitte et al., J. Chem. Phy...

In this article the behavior of tetrahydrofuran (THF) + 2-alkanol namely 2-propanol, 2-butanol, 2-pentanol, 2-hexanol and 2-heptanol binary mixtures through the density and viscosity measurements have been studied as a function of composition and within the temperature range of 293.15–313.15 K. The excess molar volume, isobaric thermal expansivity, partial molar volumes, and viscosity deviation...

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...