▪ Abstract This paper reviews the molecular theory of hydrophobic effects relevant to
biomolecular structure and assembly in aqueous solution. Recent progress has resulted in …

Statistical associating fluid theory (SAFT) is a powerful model for thermodynamic property
and phase equilibrium calculations for fluid mixtures. In this paper, the model development …

The Henry's constants of water, carbon dioxide, ethane, ethene, methane, oxygen, and
nitrogen are computed in the ionic liquid 1-n-butyl-3-methylimidazolium …

In this paper we report a successful molecular simulation study exploring the heterogeneous
crystal growth of sI methane hydrate along its [001] crystallographic face. The molecular …

Deep eutectic solvents (DESs) are considered as green alternatives to room temperature
ionic liquids (RTILs), due to their lower-cost synthesis and more environmentally friendly …

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 determination of a suitable set of molecular interaction parameters for use with an
equation of state (EoS) can be viewed as a multi-objective optimization (MOO) problem …

RICE UNIVERSITY Thermodynamic Stability and Phase Behavior of Asphaltenes in Oil and of
Other Highly Asymmetric Mixtures by P. D Page 1 RICE UNIVERSITY Thermodynamic Stability …

A strategy allowing the computation of sorption isotherms, up to high penetrant activities, in
glassy matrices has been designed. The new scheme permits an equilibrium repartition of …

The effects of hydration on the solvation, diffusivity, solubility, and permeability of oxygen
molecules in sustainable, biodegradable chitosan/chitin food packaging films were studied …