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Lattice calculations for concentrated solutions

These results are highly signihcant and mark a considerable improvement on the Debye- [Pg.419]

These are models which attempt to take into consideration the molecular structure of the solvent molecules. Previous treatments based on the Debye-Hiickel model have approximated the solvent to a continuous medium characterised simply by the macroscopic relative permittivity. Qualitatively, the Bom-Oppenheimer models could be taken as replacing the Gurney terms and the cavity terms of the previous model (Sections 10.16.3 to 10.16.6). [Pg.419]

The model requires potential energies describing interactions between  [Pg.419]

These potential energies can be made as simple or as complex as desired. [Pg.419]

Analysis of this model of the electrolyte solution takes the above quantities and by carrying out statistical mechanical calculations or Monte Carlo calculations leads eventually to a calculation of activity coefficients for a range of ionic strengths. The details of the procedures are complex. Results can be compared with experiment, or with the results of other theoretical treatments and indicate that this is a very fiuitfid line of enquiry. The extension to allow for the molecular nature of the solvent is a very necessary step in leading to an eventual fuU description of the behaviour of electrolyte solutions. [Pg.419]


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