Rational design of small molecular gelators is an elusive and herculean task, despite the
rapidly growing body of literature devoted to such gels over the past decade. The process of …

Generally, molecular thermodynamic models for treating the phase equilibria of solutions
can be classified into two categories: activity coefficient relations and equations of state. The …

The solubility of a crystalline substance in the solution can be estimated from its absolute
solid free energy and excess solvation free energy. Here, we present a numerical method …

The development of moisture-tolerant, LiOH-based non-aqueous Li-O 2 batteries is a
promising route to bypass the inherent limitations caused by the instability of their typical …

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 infinite dilution activity coefficient (γ i∞) is often applied to characterize solvent–solute
interactions, and, when accurately predicted, it can also serve as an early-stage solvent …

Accurate prediction of infinite dilution activity coefficient (γ∞) for phase equilibria and
process design is crucial. In this work, an experimental γ∞ dataset containing 295 solutes …

The accurate prediction of physicochemical properties of chemical compounds in mixtures
(such as the activity coefficient at infinite dilution γij∞) is essential for develo** novel and …

Recent results concerning the prediction of thermodynamic properties of solutes in polymers
are presented. In particular, the computation of vapor–liquid and gas–liquid equilibria (ie …

The status of thermophysical property needs of the chemical industry is reviewed and
updated relative to similar observations from 20 years ago. The paper is informed by a …