Interfaces nonelectrostatic interactions

In the following, the modelling of solute-solvent interactions at the interface will be discussed in Section Electrostatic and in Section Nonelectrostatic Interactions (cavitation, dispersion, and repulsion). Applications of the methods developed to the modelling of molecular properties at liquid surfaces will be described in the Section Energetics and Properties at Liquid-Gas and Liquid-Liquid Interface. 

The first attempt to describe nonelectrostatic interactions at the interface has been done by extending the semiempirical models [19,20] of such interactions to a sharp interface. In order to illustrate how semiempirical models are extended to the interface let us consider the dispersion interaction. In bulk solution dispersion is modelled through a sum of interatomic interactions between the solute atoms and the solvent atoms. The assumption of a uniform distribution of the solvent atoms allows us to obtain a closed... 

Because of their crucial role in the comparison between theoretical modelling and experiments, nonelectrostatic interactions have recently been reconsidered for diffuse interfaces. In particular, the introduction of repulsion proved to be the key to obtaining agreement between the CM and experimental findings. In particular, it allowed the surfactant behaviour of halides [17] and [18] to be modelled. 

Lower-edge energy of a dry electron in the solvent, comprising energies of transfer through solution-vapor interface, electron polarization, and (nonelectrostatic) interaction with solvent molecules. 

Electrostatics is certainly the most important interaction between a dielectric medium and a molecular species. Therefore, it has also been investigated extensively for interfaces as shown in the previous section. Nonelectrostatic forces are often neglected in the bulk solution since their contribution to the solvation energy is often limited because of reciprocal cancellation and their effect on molecular properties is small [16] (repulsion and particularly dispersion) or zero (the present understanding of cavitation is strictly empirical). 

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