Hydrocarbons in subsurface nanoporous media, such as shale, are promising energy
resources to compensate for the shortage of conventional reservoirs. Pore-network …

Literature data on the solubility and diffusivity of CO 2 and N 2, as well as swelling of
polymers in these fluids are reviewed along with experimental methods and modeling. The …

A pair of popular thermodynamic models for pharmaceutical applications, namely, the
perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state and the …

Association and complex formation are the most important contributors to nonidealities in
modeling phase equilibria. Models based on Wertheim's association theory are reviewed in …

The prediction of gases and vapors solubility isotherms in semi-crystalline polymers is still
an unsolved problem of great technological relevance. This work provides an overview of …

A quantitative understanding of the solubility and diffusivity of CO 2 in polycaprolactone
(PCL) is crucial for designing PCL manufacturing processes that employ CO 2. Both …

A framework to self‐consistently combine a classical equation of state (EoS) and a
molecular force field to model polymers and polymer mixtures is presented. The statistical …

The statistical trajectory matching (STM) method was applied successfully to derive coarse
grain (CG) models for bulk properties of homopolymers. The extension of the methodology …

Self-associating species exhibit highly nonideal vapor-liquid phase behavior in many
mixtures, which is challenging to model. The most successful models, such as the statistical …

Using theoretical and computational tools for predicting thermophysical properties of fluid
systems and the soft matter has always been of interest to the physical, chemical, and …