Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems
We study the adsorption of primitive model electrolytes into a layered slit system using grand canonical Monte Carlo simulations. The slit system contains a series of charged membranes. The ions are forbidden from the membranes, while they are allowed to be adsorbed into the slits between the membra...
Збережено в:
| Дата: | 2012 |
|---|---|
| Автори: | , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2012
|
| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120279 |
| Теги: |
Додати тег
Немає тегів, Будьте першим, хто поставить тег для цього запису!
|
| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems / R. Kovács, M. Valiskó, D. Boda // Condensed Matter Physics. — 2012. — Т. 15, № 2. — С. 23803:1-11. — Бібліогр.: 59 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
irk-123456789-120279 |
|---|---|
| record_format |
dspace |
| spelling |
irk-123456789-1202792017-06-12T03:02:51Z Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems Kovács, R. Valiskó, M. Boda, D. We study the adsorption of primitive model electrolytes into a layered slit system using grand canonical Monte Carlo simulations. The slit system contains a series of charged membranes. The ions are forbidden from the membranes, while they are allowed to be adsorbed into the slits between the membranes. We focus on the electrical properties of the slit system. We show concentration, charge, electric field, and electrical potential profiles. We show that the potential difference between the slit system and the bulk phase is mainly due to the double layers formed at the boundaries of the slit system, but polarization of external slits also contributes to the potential drop. We demonstrate that the electrical work necessary to bring an ion into the slit system can be studied only if we simulate the slit together with the bulk phases in one single simulation cell. Використовуємо Монте Карло симуляцiї у великому канонiчному ансамблi для вивчення адсорбцiї примiтивної моделi електролiтiв в шарувату щiлино-подiбну систему. Остання мiстить низку заряджених мем-бран. Мембрани є недоступними для iонiв, але можуть адсорбуватись в мiжмембраннi щiлини. Ми концентруємо увагу на електричних властивостях щiлинної системи. Отримано концентрацiю, заряд, електричне поле та профiль електричного потенцiалу. Показано, що потенцiальна рiзниця мiж щiлинною та об’ємною фазами спричинена, в основному, виникненням на границях щiлини подвiйних шарiв, але вклад вносить також i поляризацiя зовнiшнiх щiлин. Ми демонструємо, що електрична робота, яку потрiбно здiйснити з метою внесення iона в щiлинну систему, може бути отримана лише тодi, коли симуляцiя щiлини виконується разом iз об’ємними фазами в однiй симуляцiйнiй комiрцi. 2012 Article Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems / R. Kovács, M. Valiskó, D. Boda // Condensed Matter Physics. — 2012. — Т. 15, № 2. — С. 23803:1-11. — Бібліогр.: 59 назв. — англ. 1607-324X PACS: 82.45.Mp, 82.45.Gj, 87.10.Rt, 61.20.Qg DOI:10.5488/CMP.15.23803 arXiv:1207.3282 http://dspace.nbuv.gov.ua/handle/123456789/120279 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 |
We study the adsorption of primitive model electrolytes into a layered slit system using grand canonical Monte Carlo simulations. The slit system contains a series of charged membranes. The ions are forbidden from the membranes, while they are allowed to be adsorbed into the slits between the membranes. We focus on the electrical properties of the slit system. We show concentration, charge, electric field, and electrical potential profiles. We show that the potential difference between the slit system and the bulk phase is mainly due to the double layers formed at the boundaries of the slit system, but polarization of external slits also contributes to the potential drop. We demonstrate that the electrical work necessary to bring an ion into the slit system can be studied only if we simulate the slit together with the bulk phases in one single simulation cell. |
| format |
Article |
| author |
Kovács, R. Valiskó, M. Boda, D. |
| spellingShingle |
Kovács, R. Valiskó, M. Boda, D. Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems Condensed Matter Physics |
| author_facet |
Kovács, R. Valiskó, M. Boda, D. |
| author_sort |
Kovács, R. |
| title |
Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems |
| title_short |
Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems |
| title_full |
Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems |
| title_fullStr |
Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems |
| title_full_unstemmed |
Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems |
| title_sort |
monte carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2012 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/120279 |
| citation_txt |
Monte Carlo simulation of the electrical properties of electrolytes adsorbed in charged slit-systems / R. Kovács, M. Valiskó, D. Boda // Condensed Matter Physics. — 2012. — Т. 15, № 2. — С. 23803:1-11. — Бібліогр.: 59 назв. — англ. |
| series |
Condensed Matter Physics |
| work_keys_str_mv |
AT kovacsr montecarlosimulationoftheelectricalpropertiesofelectrolytesadsorbedinchargedslitsystems AT valiskom montecarlosimulationoftheelectricalpropertiesofelectrolytesadsorbedinchargedslitsystems AT bodad montecarlosimulationoftheelectricalpropertiesofelectrolytesadsorbedinchargedslitsystems |
| first_indexed |
2023-10-18T20:36:25Z |
| last_indexed |
2023-10-18T20:36:25Z |
| _version_ |
1796150644750417920 |