The applications of molecular simulation in supercritical carbon dioxide (S-CO2) and its
mixtures are reviewed. First, an overview of physical properties of S-CO2 and CO2 models is …

While we could argue that the goals of modelling fluid phase equilibria have not changed
greatly since the time of van der Waals, there is little doubt that the systems of interest have …

The perturbed chain statistical associating fluid theory (PC-SAFT) is extended to polar
molecular fluids, namely dipolar and quadrupolar fluids. The extension is based on the …

The phase behavior of carbon dioxide+ n-alkane binary mixtures is studied using the
statistical associating fluid theory for potentials of variable attractive range. Extensive …

We present and discuss the influence of the molecular architecture on the phase equilibria
behavior of ethylene glycol oligomers and their mixtures based on predictions from a …

A thermodynamic perturbation theory for mixtures of fluids composed of particles interacting
via discrete potentials is presented, based on previous work for pure component systems …

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 …

The truncated Perturbed-Chain Polar Statistical Associating Fluid Theory (tPC-PSAFT) is
applied to a number of different mixtures, including binary, ternary and quaternary mixtures …

A molecular thermodynamics approach has been developed in order to describe the
adsorption of fluids onto solid surfaces based on the use of discrete-potential fluid models …

We developed an explicit equation of state (EOS) for small non polar molecules by means of
an effective two-body potential. The average effect of three-body forces was incorporated as …