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...

Nitriles are strong polar compounds showing a highly non-ideal behavior, which makes them challenging systems from a modeling point of view; in spite of this, accurate predictions for the vapor-liquid equilibria of these systems are needed, as some of them, like acetonitrile (CH3CN) and propionitrile (C2H5CN), play an important role as organic solvents in several industrial processes. This work...

The precipitation of asphaltenes in two Mexican crude oils was measured using a combination of high-pressure isothermal expansion and atmospheric titration with nalkanes. Experiments were carried out from the liveand tank-oil type of samples of the same crude oils. For the oils investigated, compositional data, precipitation phase diagrams, and bubble point pressures are reported. A theoretical...

ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported recently in this journal. The present paper describes two major software enhancements to TDE: (1) generation of equation of state (EOS) representations on demand and (2) establishment of a dynamically updated experimental data resource for use in the critical evaluation pr...

Recent theoretical and simulation studies suggest an unexpected shift in the solubility of n-alkanes in nearcritical water, which would indicate that longer n-alkane molecules are more soluble than shorter ones. This trend is contrary to what one finds at ambient conditions, where longer alkanes generally have a lower aqueous solubility. The latter is usually interpreted as a consequence of the...

High-pressure phase equilibrium and volumetric properties of highly asymmetric mixtures related to reservoir fluids are critical the development high-pressure high-temperature (HPHT) reservoirs. However, there is a lack relevant data accurate modeling tools. In this work, we prepared pseudo-binary methane (CH4) + stock tank oil (STO) systematically measured their densities at temperatures from ...

Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) coupled with the Young-Laplace equation is a recently developed equation of state (EOS) that successfully presents not only the capillary condensation but also the pore critical phenomena. The development of this new EOS allows further investigation of the heats involved in condensation. Compared to the conventional approaches, the ...

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-...

We constructed several sequences of classical Cepheid envelope models at solar chemical composition (Y = 0.28, Z = 0.02) to investigate the dependence of the pulsation properties predicted by linear and nonlinear hydrodynamical models on input physics. To study the dependence on the equation of state (EOS) we performed several numerical experiments by using the simplified analytical EOS origina...