We have developed a “global” crossover (GC) statistical associating fluid theory (SAFT) equation of state (EOS) for associating fluids that incorporates nonanalytic scaling laws in the critical region and in the limit of low densities, F f 0, is transformed into the ideal-gas equation EOS. Unlike the crossover SAFT EOS developed earlier, the new GC SAFT EOS contains a so-called kernel term and ...

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...

In this work we extend the crossover (CR) modification of the statistical-associating-fluid-theory (SAFT) equation of state (EOS), recently developed and applied for non-associating systems [Ind. Eng. Chem. Res. 38 (1999) 4993] to associating fluids. Unlike the previous crossover EOS that was based on the parametric linear model for the universal crossover function Y, the new CR SAFT EOS is bas...

The water solubility in fatty acid esters and biodiesels and the vapor–liquid equilibria (VLE) of fatty acid ester + methanol/ethanol systems, formed at biodiesel production and purification industrial units, were modeled in this work to complete the development and application of the soft-SAFT equation of state (EoS) to the design and optimization of biodiesel production plants. The soft-SAFT ...

There are many difficulties in the purification of raw components and products. However, researchers are seeking better ways for purification. One of the recent methods is extraction using supercritical fluids. In this study, the phase equilibria of benzoic acid -supercritical carbon dioxide system were investigated. Regarding the phase equilibria of this system, the modeling of solid-supercrit...

We propose a density-functional theory (DFT) describing inhomogeneous polymer-carbon dioxide mixtures based on a perturbed-chain statistical associating fluid theory equation of state (PC-SAFT EOS). The weight density functions from fundamental measure theory are used to extend the bulk excess Helmholtz free energy to the inhomogeneous case. The additional long-range dispersion contributions ar...

In this work, the soft statistical associating fluid theory (soft-SAFT) equation of state (EoS) has been used to provide an accurate thermodynamic characterization of the pyridinium-based family of ionic liquids (ILs) with the bis(trifluoromethylsulfonyl)imide anion [NTf(2)](-). On the basis of recent molecular simulation studies for this family, a simple molecular model was proposed within the...

In this work, five different thermodynamic models for correlating the fugacity of water and Tetrahydrofuran (THF) in liquid phase in equilibrium with hydrogen hydrate phase, based on the van der Waals–Platteeuw (vdW-P) statistical thermodynamic model are used and the equilibrium pressures of hydrogen hydrate at different temperatures are calculated. The dissociation pressure of binary hydrogen ...

in this work, we have calculated the joule-thomson inversion curve of two important associating fluids, namely water and methanol, from the saft equation of state. comparisons with the available experimental data, for water and methanol indicate that this molecular based equation of state gives good prediction of the low temperature branch; but, unfortunately, due to lack of isenthalpic data fo...