A molecular/continuum thermodynamic model of hydration

Article Abstract:

Research was conducted to examine a thermodynamic model that combines explicit water and continuum dielectric descriptions of hydration. The model allows for the calculation of electrostatic contributions to the free energy of hydration that is based on a corrrelation function expansion of the free energy. Results are compared to free energies calculated directly from molecular simulations.

Research, Models, Hydration, Rehydration solutions, Gibbs' free energy

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Contrasting nonaqueous against aqueous solvation on the basic of scaled-particle theory

Article Abstract:

The roles of intra- and intermolecular correlations in cavity formation in n-hexane, contrasting hardsphere solvation in aqueous and nonaqueous solution are addressed.

Industrial Organic Chemicals, Cyclic Crude and Intermediate Manufacturing, Hexane, Analysis, Solvation, Aqueous solution reactions, Chemical properties

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