The solvation shell in ionic solutions: variational mean spherical scaling approximation

Blum, L.; Velázquez, Esov S.

doi:10.1016/s0166-1280(99)00245-6

Cited by 4 publications

(2 citation statements)

References 32 publications

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“…The MSA can be interpreted using an electrostatic analog from which all the results of the MSA can be deriveded [14,40,41]. For charges this is simply a spherical capacitor.…”

Section: A the Electrostatic Equivalent Modelsmentioning

confidence: 99%

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

Blum

2002

The Journal of Chemical Physics

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Using new scaling parameters β 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 χ . We show now that for factorizable interactions like the hard ion-dipole mixture there is a further reduction to a diagonal matrices β χ . The excess thermodynamic properties are simple functions of these new parameters. For the entropy we getwhere F is an algebraic functional of the scaling matrices of irreducible representations χ of the closure of the Ornstein-Zernike. Typeset using REVT E X 2 ACS 61.20.Gy.

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“…The MSA can be interpreted using an electrostatic analog from which all the results of the MSA can be deriveded [14,40,41]. For charges this is simply a spherical capacitor.…”

Section: A the Electrostatic Equivalent Modelsmentioning

confidence: 99%

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

Blum

2002

The Journal of Chemical Physics

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“…This new functional provides a robust and systematic way to develop fully analytical theories of liquids [18][19][20], which will be examined in future work.…”

Section: Series Summationmentioning

confidence: 99%

Density fluctuations and entropy

Hernando

Blum

2000

Phys. Rev. E

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A functional for the entropy that is asymptotically correct both in the high- and low-density limits is proposed. The new form is S=S((id))+S((ln))+S((r))+S((c)), where the term S((c)) depends on the p-body density fluctuations alpha(p) and has the form S((c))/k=ln 2-1+ summation operator(infinity)(p=2) (ln 2)(p)/p! alpha(p)-[exp(alpha(2)-1)-alpha(2)]+Sinsertion mark. Sinsertion mark renormalizes the ring approximation S((r)). This result is obtained by analyzing the functional dependence of the most general expression of the entropy. Two main results for S((c)) are proved: (i) In the thermodynamic limit it is only a functional of the one-body distribution function and (ii) by summing to infinite order the leading contributions in the density a numerical expression for the entropy [Eq. (33)] with a renormalized ring approximation is obtained. The relation of these results to the incompressible approximation for the entropy is discussed and preliminary numerical results on hard spheres are presented.

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Association in electrolyte solution: Implementing inner sphere ion pairing into the mean spherical approximation

Bernard

2023

Journal of Molecular Liquids

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The solvation shell in ionic solutions: variational mean spherical scaling approximation

Cited by 4 publications

References 32 publications

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

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

Density fluctuations and entropy

Association in electrolyte solution: Implementing inner sphere ion pairing into the mean spherical approximation

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