Overview

Important biochemical and industrial processes occur in both aqueous and organic solutions. This volume is the second part of an earlier Special Issue titled Modeling of Liquids Behavior: Experiments, Theory and Simulations, and honors Professor William Acree Jr. for his extensive and outstanding research accomplishments in thermodynamic and physicochemical properties of non-electrolyte solutions. Leading solution and computational chemistry experts have collaborated to create an informative and valuable scientific resource for academicians, beginning and experienced scientists, and engineers. The comprehensive review article and nineteen original research papers published in the Special Issue report new experimental diffusion, solubility, and partition coefficient data for both aqueous and organic solutions, vapor pressure, and enthalpy of vaporization data for ionic liquids and molecular organic compounds. Expressions based on quantitative structure-property relationships (QSPRs), atom fragment additivity approaches, machine learning models, and quantum mechanical methods are provided for predicting enthalpies and free energies of solvation, partition coefficients for solute transfer into membranes and into organic solvents from both water and the gas phase, and Abraham model solute descriptor values. The diverse range of topics covered in this Special Issue documents the important research currently being conducted into liquid solutions.

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