An analysis of the fluctuation potential in the modified Poisson-Boltzmann theory for restricted primitive model electrolytes
An approximate analytical solution to the fluctuation potential problem in the modified Poisson-Boltzmann theory of electrolyte solutions in the restricted primitive model is presented. The solution is valid for all inter-ionic distances, including contact values. The fluctuation potential solution...
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| Datum: | 2017 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2017
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| Schriftenreihe: | Condensed Matter Physics |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/157034 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | An analysis of the fluctuation potential in the modified Poisson-Boltzmann theory for restricted primitive model electrolytes / E.O. Ulloa-Dávila, L.B. Bhuiyan // Condensed Matter Physics. — 2017. — Т. 20, № 4. — С. 43801: 1–16. — Бібліогр.: 46 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| Zusammenfassung: | An approximate analytical solution to the fluctuation potential problem in the modified Poisson-Boltzmann theory of electrolyte solutions in the restricted primitive model is presented. The solution is valid for all inter-ionic
distances, including contact values. The fluctuation potential solution is implemented in the theory to describe
the structure of the electrolyte in terms of the radial distribution functions, and to calculate some aspects of
thermodynamics, viz., configurational reduced energies, and osmotic coefficients. The calculations have been
made for symmetric valence 1:1 systems at the physical parameters of ionic diameter 4.25 × 10⁻¹⁰ m, relative
permittivity 78.5, absolute temperature 298 K, and molar concentrations 0.1038, 0.425, 1.00, and 1.968. Radial
distribution functions are compared with the corresponding results from the symmetric Poisson-Boltzmann,
and the conventional and modified Poisson-Boltzmann theories. Comparisons have also been done for the contact values of the radial distributions, reduced configurational energies, and osmotic coefficients as functions
of electrolyte concentration. Some Monte Carlo simulation data from the literature are also included in the
assessment of the thermodynamic predictions. Results show a very good agreement with the Monte Carlo results and some improvement for osmotic coefficients and radial distribution functions contact values relative to
these theories. The reduced energy curve shows excellent agreement with Monte Carlo data for molarities up
to 1 mol/dm³
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