Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes
As an attempt to assess the effect of the long-range electrostatic interactions in solutions of electrolytes, a simple short-range model (SSM) of electrolytes made up of primitive water and primitive ions (i. e., ions whose Coulombic interaction with water has been replaced by a triangular-well...
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| Дата: | 2005 |
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| Автори: | , |
| Формат: | Стаття |
| Мова: | English |
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Інститут фізики конденсованих систем НАН України
2005
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/119546 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes / L. Vlcek, I. Nezbeda // Condensed Matter Physics. — 2005. — Т. 8, № 2(42). — С. 261–270. — Бібліогр.: 17 назв. — англ. |
Репозитарії
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irk-123456789-1195462017-06-08T03:03:26Z Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes Vlcek, L. Nezbeda, I. As an attempt to assess the effect of the long-range electrostatic interactions in solutions of electrolytes, a simple short-range model (SSM) of electrolytes made up of primitive water and primitive ions (i. e., ions whose Coulombic interaction with water has been replaced by a triangular-well interaction) has been considered to compute the potential of mean force. The sizes of the primitive ions have been set so as to approximate realistic NaCl, LiI, and CsCl electrolytes. It is shown that despite the missing longrange Coulombic interaction the model captures the basic features of real electrolytes while the indirect, i.e. water mediated, potential of mean force in the SSM is in qualitative agreement with that of realistic models. Обчислення потенціалу середньої сили для спрощеної моделі з короткодіючими взаємодіями (кулонівська взаємодія між іонами і водою замінена взаємодією трикутної ями) розглядається як спроба визначити ефект далекодіючих електростатичних взаємодій у розчинах електролітів. Розміри таких розчинених іонів вибирались таким чином, щоб апроксимувати реальні NaCl, LiI, та CsCl розчини електролітів. Показано, що, незважаючи на нехтування далекодіючими кулонівськими взаємодіями, модель відображає основні характеристики реальних розчинів електролітів, тоді як непряма взаємодія між іонами опосередкована водою, тобто потенціал середньої сили якісно добре узгоджений з результатами реалістичних моделей. 2005 Article Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes / L. Vlcek, I. Nezbeda // Condensed Matter Physics. — 2005. — Т. 8, № 2(42). — С. 261–270. — Бібліогр.: 17 назв. — англ. 1607-324X PACS: 05.20.Jj DOI:10.5488/CMP.8.2.261 http://dspace.nbuv.gov.ua/handle/123456789/119546 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 |
As an attempt to assess the effect of the long-range electrostatic interactions
in solutions of electrolytes, a simple short-range model (SSM) of
electrolytes made up of primitive water and primitive ions (i. e., ions whose
Coulombic interaction with water has been replaced by a triangular-well
interaction) has been considered to compute the potential of mean force.
The sizes of the primitive ions have been set so as to approximate realistic
NaCl, LiI, and CsCl electrolytes. It is shown that despite the missing longrange
Coulombic interaction the model captures the basic features of real
electrolytes while the indirect, i.e. water mediated, potential of mean force
in the SSM is in qualitative agreement with that of realistic models. |
| format |
Article |
| author |
Vlcek, L. Nezbeda, I. |
| spellingShingle |
Vlcek, L. Nezbeda, I. Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes Condensed Matter Physics |
| author_facet |
Vlcek, L. Nezbeda, I. |
| author_sort |
Vlcek, L. |
| title |
Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes |
| title_short |
Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes |
| title_full |
Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes |
| title_fullStr |
Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes |
| title_full_unstemmed |
Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes |
| title_sort |
potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2005 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/119546 |
| citation_txt |
Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes / L. Vlcek, I. Nezbeda // Condensed Matter Physics. — 2005. — Т. 8, № 2(42). — С. 261–270. — Бібліогр.: 17 назв. — англ. |
| series |
Condensed Matter Physics |
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2023-10-18T20:34:50Z |
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2023-10-18T20:34:50Z |
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