Double layer for hard spheres with an off-center charge
Simulations for the density and potential profiles of the ions in the planar electrical double layer of a model electrolyte or an ionic liquid are reported. The ions of a real electrolyte or an ionic liquid are usually not spheres; in ionic liquids, the cations are molecular ions. In the past, this...
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| Дата: | 2016 |
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| Автори: | , , , , |
| Формат: | Стаття |
| Мова: | English |
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Інститут фізики конденсованих систем НАН України
2016
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/155792 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Double layer for hard spheres with an off-center charge / W. Silvestre-Alcantara, L.B. Bhuiyan, S. Lamperski, M. Kaja, D. Henderson // Condensed Matter Physics. — 2016. — Т. 19, № 1. — С. 13603: 1–11. — Бібліогр.: 41 назв. — англ. |
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irk-123456789-1557922019-06-18T01:27:28Z Double layer for hard spheres with an off-center charge Silvestre-Alcantara, W. Bhuiyan, L.B. Lamperski, S. Kaja, M. Henderson, D. Simulations for the density and potential profiles of the ions in the planar electrical double layer of a model electrolyte or an ionic liquid are reported. The ions of a real electrolyte or an ionic liquid are usually not spheres; in ionic liquids, the cations are molecular ions. In the past, this asymmetry has been modelled by considering spheres that are asymmetric in size and/or valence (viz., the primitive model) or by dimer cations that are formed by tangentially touching spheres. In this paper we consider spherical ions that are asymmetric in size and mimic the asymmetrical shape through an off-center charge that is located away from the center of the cation spheres, while the anion charge is at the center of anion spheres. The various singlet density and potential profiles are compared to (i) the dimer situation, that is, the constituent spheres of the dimer cation are tangentially tethered, and (ii) the standard primitive model. The results reveal the double layer structure to be substantially impacted especially when the cation is the counterion. As well as being of intrinsic interest, this off-center charge model may be useful for theories that consider spherical models and introduce the off-center charge as a perturbation. Виконано симуляцiї профiлiв густини i потенцiалу iонiв у плоскому електричному подвiйному шарi модельного електролiту або iонної рiдини. Iони електролiту або iонної рiдини є зазвичай несферичними; у iонних рiдинах катiони є молекулярними iонами. У недалекому минулому цю асиметрiю моделювали розглядаючи або сфери, якi були асиметричними за розмiром i/чи валентнiстю (примiтивна модель), або димернi катiони, якi утворенi за допомогою тангенцiйно дотичних сфер. Тут ми розглядаємо сферичнi iони, якi є асиметричними за розмiром та моделюють асиметричну форму за допомогою заряду, який розташований не в центрi катiонних сфер, в той час як заряд анiона помiщено в центрi анiонних сфер. Рiзнi одночастинковi профiлi густини i потенцiалу порiвнюються з (i) ситуацiєю з димерами, коли складовi сфери димерного катiона тангенцiйно прив’язанi i з (ii) стандартною примiтивною моделлю. Результати показують, що структура подвiйного шару зазнає значного впливу, особливо коли катiон є контрiоном. Будучи цiкавою сама по собi, ця модель нецентрального заряду може стати корисною для теорiй, якi розглядають сферичнi моделi та вводять нецентральний заряд як збурення. 2016 Article Double layer for hard spheres with an off-center charge / W. Silvestre-Alcantara, L.B. Bhuiyan, S. Lamperski, M. Kaja, D. Henderson // Condensed Matter Physics. — 2016. — Т. 19, № 1. — С. 13603: 1–11. — Бібліогр.: 41 назв. — англ. 1607-324X DOI:10.5488/CMP.19.13603 arXiv:1603.02172 PACS: 61.20.Qj, 82.45.Fk, 82.45.Gj, 82.45.Jn http://dspace.nbuv.gov.ua/handle/123456789/155792 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 |
Simulations for the density and potential profiles of the ions in the planar electrical double layer of a model electrolyte or an ionic liquid are reported. The ions of a real electrolyte or an ionic liquid are usually not spheres; in ionic liquids, the cations are molecular ions. In the past, this asymmetry has been modelled by considering spheres that are asymmetric in size and/or valence (viz., the primitive model) or by dimer cations that are formed by tangentially touching spheres. In this paper we consider spherical ions that are asymmetric in size and mimic the asymmetrical shape through an off-center charge that is located away from the center of the cation spheres, while the anion charge is at the center of anion spheres. The various singlet density and potential profiles are compared to (i) the dimer situation, that is, the constituent spheres of the dimer cation are tangentially tethered, and (ii) the standard primitive model. The results reveal the double layer structure to be substantially impacted especially when the cation is the counterion. As well as being of intrinsic interest, this off-center charge model may be useful for theories that consider spherical models and introduce the off-center charge as a perturbation. |
| format |
Article |
| author |
Silvestre-Alcantara, W. Bhuiyan, L.B. Lamperski, S. Kaja, M. Henderson, D. |
| spellingShingle |
Silvestre-Alcantara, W. Bhuiyan, L.B. Lamperski, S. Kaja, M. Henderson, D. Double layer for hard spheres with an off-center charge Condensed Matter Physics |
| author_facet |
Silvestre-Alcantara, W. Bhuiyan, L.B. Lamperski, S. Kaja, M. Henderson, D. |
| author_sort |
Silvestre-Alcantara, W. |
| title |
Double layer for hard spheres with an off-center charge |
| title_short |
Double layer for hard spheres with an off-center charge |
| title_full |
Double layer for hard spheres with an off-center charge |
| title_fullStr |
Double layer for hard spheres with an off-center charge |
| title_full_unstemmed |
Double layer for hard spheres with an off-center charge |
| title_sort |
double layer for hard spheres with an off-center charge |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2016 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/155792 |
| citation_txt |
Double layer for hard spheres with an off-center charge / W. Silvestre-Alcantara, L.B. Bhuiyan, S. Lamperski, M. Kaja, D. Henderson // Condensed Matter Physics. — 2016. — Т. 19, № 1. — С. 13603: 1–11. — Бібліогр.: 41 назв. — англ. |
| series |
Condensed Matter Physics |
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2023-05-20T17:47:48Z |
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2023-05-20T17:47:48Z |
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