Computational prediction of limiting activity coefficients is of great relevance for process
design. For highly nonideal mixtures including molecules with directed interactions, methods …

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 …

MOSCED (modified separation of cohesive energy density) is a solubility parameter method
that offers an improved treatment of association interactions. Solubility parameter methods …

Methods to predict the equilibrium solubility of nonelectrolyte solids are indispensable for
early-stage process development, design, and feasibility studies. Conventional analytic …

Solubility parameter based methods have long been valuable design tools due to their
ability to make both quantitative predictions and to shed insight into the underlying …

The SM x (x= 12, 8, or D) universal solvent models are implicit solvent models which using
electronic structure calculations can compute solvation free energies at 298.15 K. While …

Activity coefficients of water at infinite dilution in 12 common oxygenated solvents (namely
methanol, ethanol, propan-1-ol, propan-2-ol, 2-methylpropan-2-ol, propan-2-one …

Abstract Design of any chemical processes on a large scale such as distillation, extraction
requires tremendous amount of data. Such data can be obtained either through literature …