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Correcting the Ionic Model Polarizability

The wave character of the particles plays no part in the bonding between ions since we are concerned in this case with heavy particles. A simple treatment, based on the classical laws of electrostatics, does in fact lead to satisfactory results, in which the ions are considered as charged, polarizable, almost hard spheres (Kossel, Van Arkel and De Boer). Calculations can thus be carried out for the ionic bond from which general rules can be readily deduced. The domain, in which these rules are found to be valid, is very extensive. They are even found to hold in cases where the model of ionic bonding employed certainly cannot be considered as the correct approximation to the constitution. The ionic bond is of paramount importance especially for the solid state. [Pg.23]

An electrostatic model of the water monomer, which included polarizability in some reasonable manner might allow for complete simulation of liouid water and of ionic solutions. The static dielectric properties of this ubiquitous solvent would, in a good model, be automatically correct, both on the microscopic and on the macroscopic level. The thermodynamic properties predicted by such a model would, except for minor calibration errors, be close to quantitative. J aving no serious doubts about mimicking water at liquid densities, one can proceed to using more sophisticated models of the vatcr molecule. The raison d etre need no longer bo justification of the methodology, and one can settle down to predictions and correlations confident that the errors in the predictions are inaccuracies in the model. [Pg.36]


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