The recently introduced compressible electrostatic continuum solvation model [J. Phys. Chem. 1996, 100, 1165 is found to accurately reproduce molecular simulation predictions [Flanagin et al. J. Phys. Chem. 1995, 99, 5196] of the solvation energies and nonstructural density distributions for the title reaction under supercritical conditions. The compressible continuum model is unique in its ability to isolate the importance of the solventsolute clustering in defining the energetics of this reaction at different thermodynamic states. The thermodynamic conditions required for application of the model are also discussed.
Articles you may be interested inStudy of effect of grain size on dust charging in an RF plasma using three-dimensional PIC-MCC simulations AIP Conf.A simple model for charged dusts in plasmas is considered. The interaction of the dusts with the electron-ion plasma background yields a dust-dust interaction force that is attractive. The latter can hold the dust grains in various stable and metastable cluster configurations. The predicted few-dust configurations agree well with the results from an experiment and a molecular dynamics simulation.
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