Mean Spherical Approximation Solution of Ornstein-Zernike Equation in a Charged Hard Sphere System with Screened Coulombic Interactions

Ginoza, Mitsuaki

doi:10.1143/jpsj.55.1782

Cited by 37 publications

(11 citation statements)

References 2 publications

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“…Similarly, by expanding the excess internal energy in powers of x , the coefficients ej in terms of those of equations (9)- (14) can be obtained. The coefficients ej for the sixth-order expansion of the excess internal energy are…”

Section: Series Expansionmentioning

confidence: 99%

An analytical equation of state for the hard core Yukawa fluid; the electroneutral mixture

et al. 1998

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An explicit analytical equation of state is presented for an electroneutral fluid mixture of equal-sized particles which interact via hard core Yukawa potentials. Based on a perturbative scheme, analytical expressions for the coefficients of an inverse temperature expansion of internal energy in the mean-spherical approximation (MSA) are given. Extending an approximate procedure used recently for the one-component hard core Yukawa fluid, closed analytical mathematical expressions for the thermodynamics and equation of state of the electroneutral mixture are obtained. Thermodynamic properties and phase diagrams are studied for the symmetrical binary mixture. Results calculated with the analytical formulas presented here are compared with MSA results and shows excellent agreement when the interaction potential is short range. Two different binary systems are represented with the model studied in this work. In the first the interaction between particles of one species is given by repulsive Yukawa tails and the interaction between particles of different species by attractive Yukawa tails. The second system is obtained when all these forces are reversed.

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Section: Series Expansionmentioning

confidence: 99%

An analytical equation of state for the hard core Yukawa fluid; the electroneutral mixture

et al. 1998

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“…Using also earlier results of Ginoza [13,14] it was shown in I that this yields 9 (o~ + oj), zi being the ionic charges and oi the ionic diameters for the various components of the melt.…”

Section: -The Model and Its Parametersmentioning

confidence: 60%

“…Expressions for the quantities D(F, ;0, P~, t2, T1 and AN can be found in the work of Ginoza [13,14].…”

Section: -The Model and Its Parametersmentioning

confidence: 99%

Electron localization and the non-metal-metal transition in alkali-alkali-halide solutions

Akdeniz

Tosi

1996

Il Nuovo Cimento D

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We evaluate and extend an earlier proposal for a microscopic theory of the non-metal-to-metal (NM-M) transition which occurs on dissolving an alkali metal in its molten halide. The transition is viewed as involving a balance between the free-energy gain from the binding of valence electrons into localization centres and the excess free energy of the ionic assembly screened by the electrons. Using parameters estimated for solutions of potassium in potassium chloride and assuming that the elementary process of electronic trapping is the formation of F-centre-like clusters, Thomas-Fermi screening by metallic electrons is shown to lead to a very sharp NM-M transition at a concentration in the range of 25-30% added metal. Thermally activated hopping of the localized electrons and the evolution of the localization centres with composition are next crudely taken into account by allowing for an additional contribution to the inverse screening length, which is estimated from the electronic localization length. This is shown to lead to a progressive break-up of the localization clusters, accelerating into a NM-M transition in the same concentration range. This simplified theoretical scenario is consistent with the available experimental evidence. PACS 71.30 -Metal-insulator transitions. PACS 61.25.Ks -Molten salts.

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“…Recently many authors [1][2][3][4][5][6][7][8] have shown a renewed interest in the analytical solutions of the mean spherical approximation (MSA) for the structure of pure and n-competent liquids with an m-Yukawa tail.…”

Section: Introductionmentioning

confidence: 99%

Uniqueness and the choice of the acceptable solutions of the MSA

Pastore

1988

Molecular Physics

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We prove rigorously, in the general case of arbitrary potential and number of components, that if a solution of the mean spherical approximation for simple fluids exists it is unique within the class of correlation functions corresponding to positive and bounded structure factors. The longstanding problem of the choice of the acceptable solutions of the system of nonlinear algebraic equations which arises with some methods used to derive analytical solutions is carefully examined with a particular emphasis on the factorization method for Yukawa mixtures. It is shown that a local criterion, related to the boundedness of the pair correlation functions, already suggested by Baxter but apparently ignored in the recent literature, is sufficient to select the unique (acceptable) solution of the model. A very simple and practical implementation of the method is given. The dependence of the asymptotic behaviour of the pair correlation functions on the parameters is briefly discussed.

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Mean Spherical Approximation Solution of Ornstein-Zernike Equation in a Charged Hard Sphere System with Screened Coulombic Interactions

Cited by 37 publications

References 2 publications

An analytical equation of state for the hard core Yukawa fluid; the electroneutral mixture

An analytical equation of state for the hard core Yukawa fluid; the electroneutral mixture

Electron localization and the non-metal-metal transition in alkali-alkali-halide solutions

Uniqueness and the choice of the acceptable solutions of the MSA

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