Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations
The structure of cylindrical double layers is studied using a modified Poisson Boltzmann theory and the density functional approach. In the model double layer the electrode is a cylindrical polyion that is infinitely long, impenetrable, and uniformly charged. The polyion is immersed in a sea of equi...
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| Видавець: | Інститут фізики конденсованих систем НАН України |
|---|---|
| Дата: | 2013 |
| Автори: | , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2013
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120859 |
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| Цитувати: | Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations / V.Dorvilien, Ch.N. Patra, L.B. Bhuiyan, Ch.W. Outhwaite // Condensed Matter Physics. — 2013. — Т. 16, № 4. — С. 43801:1-12. — Бібліогр.: 56 назв. — англ. |
Репозиторії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
irk-123456789-120859 |
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dspace |
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irk-123456789-1208592017-06-14T03:06:22Z Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations Dorvilien, V. Patra, Ch.N. Bhuiyan, L.B. Outhwaite, Ch.W. The structure of cylindrical double layers is studied using a modified Poisson Boltzmann theory and the density functional approach. In the model double layer the electrode is a cylindrical polyion that is infinitely long, impenetrable, and uniformly charged. The polyion is immersed in a sea of equi-sized rigid ions embedded in a dielectric continuum. An in-depth comparison of the theoretically predicted zeta potentials, the mean electrostatic potentials, and the electrode-ion singlet density distributions is made with the corresponding Monte Carlo simulation data. The theories are seen to be consistent in their predictions that include variations in ionic diameters, electrolyte concentrations, and electrode surface charge densities, and are also able to reproduce well some new and existing Monte Carlo results. Вивчено структуру цилiндричних подвiйних шарiв, використовуючи модифiковану теорiю Пуассона-Больцмана i теорiю функцiоналу густини. У цiй моделi подвiйного шару електродом є нескiнченно довгий, непроникний та однорiдно заряджений цилiндричний полiiон. Вiн оточений системою iонiв однакового розмiру у дiелектричному середовищi. Виконано докладне порiвняння результатiв теорiї для дзета потенцiалiв, для середнього електростатичного потенцiалу та для розподiлiв густини iон-електрод з даними комп’ютерного моделювання Монте Карло. Теоретичнi результати узгоджуються з новими та попереднiми даними моделювання Монте Карло при змiнi рiзних параметрiв, таких як iоннi дiаметри, концентрацiя електрода, густина заряду електрода. 2013 Article Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations / V.Dorvilien, Ch.N. Patra, L.B. Bhuiyan, Ch.W. Outhwaite // Condensed Matter Physics. — 2013. — Т. 16, № 4. — С. 43801:1-12. — Бібліогр.: 56 назв. — англ. 1607-324X PACS: 82.45.Fk, 61.20.Qg, 82.45.Gj DOI:10.5488/CMP.16.43801 arXiv:1312.4868 http://dspace.nbuv.gov.ua/handle/123456789/120859 en Condensed Matter Physics Інститут фізики конденсованих систем НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| description |
The structure of cylindrical double layers is studied using a modified Poisson Boltzmann theory and the density functional approach. In the model double layer the electrode is a cylindrical polyion that is infinitely long, impenetrable, and uniformly charged. The polyion is immersed in a sea of equi-sized rigid ions embedded in a dielectric continuum. An in-depth comparison of the theoretically predicted zeta potentials, the mean electrostatic potentials, and the electrode-ion singlet density distributions is made with the corresponding Monte Carlo simulation data. The theories are seen to be consistent in their predictions that include variations in ionic diameters, electrolyte concentrations, and electrode surface charge densities, and are also able to reproduce well some new and existing Monte Carlo results. |
| format |
Article |
| author |
Dorvilien, V. Patra, Ch.N. Bhuiyan, L.B. Outhwaite, Ch.W. |
| spellingShingle |
Dorvilien, V. Patra, Ch.N. Bhuiyan, L.B. Outhwaite, Ch.W. Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations Condensed Matter Physics |
| author_facet |
Dorvilien, V. Patra, Ch.N. Bhuiyan, L.B. Outhwaite, Ch.W. |
| author_sort |
Dorvilien, V. |
| title |
Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations |
| title_short |
Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations |
| title_full |
Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations |
| title_fullStr |
Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations |
| title_full_unstemmed |
Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations |
| title_sort |
structure of cylindrical electric double layers: comparison of density functional and modified poisson-boltzmann theories with monte carlo simulations |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2013 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/120859 |
| citation_txt |
Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations / V.Dorvilien, Ch.N. Patra, L.B. Bhuiyan, Ch.W. Outhwaite // Condensed Matter Physics. — 2013. — Т. 16, № 4. — С. 43801:1-12. — Бібліогр.: 56 назв. — англ. |
| series |
Condensed Matter Physics |
| work_keys_str_mv |
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2023-10-18T20:38:19Z |
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2023-10-18T20:38:19Z |
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