Scaling for mixtures of hard ions and dipoles in the mean spherical approximation

Blum, L.
July 2002
Journal of Chemical Physics;7/8/2002, Vol. 117 Issue 2, p756
Academic Journal
Using new scaling parameters β[sub i], we derive simple expressions for the excess thermodynamic properties of the mean spherical approximation (MSA) for the ion-dipole mixture. For the MSA and its extensions we have shown that the thermodynamic excess functions are a function of a reduced set of scaling matrices Γ[sub χ]. We show now that for factorizable interactions like the hard ion-dipole mixture there is a further reduction to a diagonal matrices β[sub χ]. The excess thermodynamic properties are simple functions of these new parameters. For the entropy density we get S = -{k/3π} × (F[β[sub α]])α ∈ χ, where F is a simple algebraic functional (such as the cube of the modulus of a vector in function space) of the scaling matrices of irreducible representations χ of the closure of the Ornstein-Zernike equation. The new scaling parameters β[sub i] are also simply related to the chemical potentials of the components. The analysis also provides a new definition of the Born solvation energy for arbitrary concentrations of electrolytes.


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