Charge reversal and surface charge amplification in asymmetric valence restricted primitive model planar electric double layers in the modified Poisson-Boltzmann theory
The modified Poisson-Boltzmann theory of the restricted primitive model double layer is revisited and recast in a fresh, slightly broader perspective. Derivation of relevant equations follow the techniques utilized in the earlier MPB4 and MPB5 formulations and clarifies the relationship between th...
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| Date: | 2017 |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2017
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/157015 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Charge reversal and surface charge amplification in asymmetric valence restricted primitive model planar electric double layers in the modified Poisson-Boltzmann theory / L.B. Bhuiyan, C.W. Outhwaite // Condensed Matter Physics. — 2017. — Т. 20, № 3. — С. 33801: 1–15. — Бібліогр.: 65 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| Summary: | The modified Poisson-Boltzmann theory of the restricted primitive model double layer is revisited and recast
in a fresh, slightly broader perspective. Derivation of relevant equations follow the techniques utilized in the
earlier MPB4 and MPB5 formulations and clarifies the relationship between these. The MPB4, MPB5, and a
new formulation of the theory are employed in an analysis of the structure and charge reversal phenomenon
in asymmetric 2:1/1:2 valence electrolytes. Furthermore, polarization induced surface charge amplification is
studied in 3:1/1:3 systems. The results are compared to the corresponding Monte Carlo simulations. The theories are seen to predict the “exact” simulation data to varying degrees of accuracy ranging from qualitative to
almost quantitative. The results from a new version of the theory are found to be of comparable accuracy as the
MPB5 results in many situations. However, in some cases involving low electrolyte concentrations, theoretical
artifacts in the form of un-physical “shoulders” in the singlet ionic distribution functions are observed. |
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