A hybrid statistical mechanical model, which is fully consistent with the bulk perturbed-chain statistical associating fluid theory (PC-SAFT) in describing properties of fluids, was developed by coupling density functional theory with PC-SAFT for the description of the inhomogeneous behavior of real chain molecules in nanopores. In the developed model, the modified fundamental measure theory wa...

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...

In this work the solubility of 15 amino acids and 18 peptides in aqueous 2-propanol solutions was successfully modelled using PC-SAFT that used recently determined experimental melting properties as input data.

In this paper, we present a systematic review of the perturbed-chain statistical associating fluid theory equation state (PC-SAFT) EoS for thermodynamic modeling with application in asphaltene phase behavior simulation. The SAFT and its modified version known as PC-SAFT is briefly introduced. Then, uses tool highlighted. Crude oil characterization methods procedures are described focus on SARA-...

The performance of the PC-SAFT and I-PC-SAFT EoS in correlating P sat $$ {P}^{sat} , v liq {v}_{liq}^{sat} Δ vap H {\Delta}_{vap}H c {c}_{P, liq}^{sat} critical coordinates 1800 pure compounds that consist 1252 non-self-associating 548 self-associating is evaluated. equation able to reproduce data with a deviation close 1%, which meets highest standards. counterpart however large on pressure. e...