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 perturbed-chain statistical associating fluid theory (PC-SAFT) density functional theory developed in our previous work was extended to the description of inhomogeneous confined behavior in nanopores for mixtures. In the developed model, the modified fundamental measure theory and the weighted density approximation were used to represent the hard-sphere and dispersion free energy functional...

The minimum miscibility pressure (MMP) is one of the crucial and substantial parameters in the gas injection projects for enhanced oil recovery (EOR). This parameter indicates the minimum pressure at constant temperature and composition conditions for reaching 100 percent of the oil production recovery which leads to a huge economic income. Therefore, an inaccurate prediction of the MMP may lea...

We propose a predictive Density Functional Theory (DFT) for the calculation of solvation free energies. Our approach is based on Helmholtz free-energy functional that consistent with perturbed-chain SAFT (PC-SAFT) equation state. This allows coarse-grained description solvent, an inhomogeneous density PC-SAFT segments. The solute, other hand, described in full detail by atomistic Lennard-Jones ...

Small changes in temperature or pressure can lead to crude oil phase separation and multiple orders of magnitude change viscosity. The one-parameter friction theory framework using the SARA-based method with perturbed-chain statistical association fluid (PC-SAFT) EoS has proven have high accuracy viscosity predictions light oil. However, it failed for heavy In this work, above model is modified...

The perturbed chain-statistical associating fluid theory (PC-SAFT) equation of state (EoS) is applied, and its performance assessed using a reliable free-to-access benchmark thermodynamic database developed by the authors. A total 200 non-electrolytic binary systems are included in database, which divided into nine groups according to character components, that is, their ability be involved hyd...

In this work, the solubilities of pharmaceutical cocrystals in solvent/anti-solvent systems were predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes. Modeling results and experimental data were compared for the cocrystal system nicotinamide/succinic acid (2:1) in the solvent/anti-solvent mixtures ethanol/water, ethanol/acetonitrile and ethanol/ethyl acet...