Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data
Monte Carlo simulation studies are performed for the Lennard-Jones like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of the soft repulsion by the hard-core repulsion. Different distances for the positioning of hard core have been explored. We have...
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| Дата: | 2011 |
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| Автори: | , , , |
| Формат: | Стаття |
| Мова: | English |
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Інститут фізики конденсованих систем НАН України
2011
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120020 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data/ J. Krejčí, I. Nezbeda, R. Melnyk, A. Trokhymchuk // Condensed Matter Physics. — 2011. — Т. 14, № 3. — С. 33005: 1-11. — Бібліогр.: 13 назв. — англ. |
Репозитарії
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irk-123456789-1200202017-06-11T03:04:46Z Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data Krejčí, J. Nezbeda, I. Melnyk, R. Trokhymchuk, A. Monte Carlo simulation studies are performed for the Lennard-Jones like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of the soft repulsion by the hard-core repulsion. Different distances for the positioning of hard core have been explored. We have found, that for temperatures that are slightly lower and slightly higher of the critical point temperature for the Lennard-Jones fluid, placing the hard core at distances that are shorter than zero-potential energy is well justified by thermodynamic properties that are practically the same as in original LJ2Y model without hard core. However, going to extreme conditions with the high temperature one should be careful since presence of the hard core provokes changes in the properties of the system. The later is extremely important when the mean spherical approximation (MSA) theory is applied to treat the Lennard-Jones-like fluid. Методом Монте Карло проведено дослiдження Леннард-Джонс-подiбного плину, взаємодiя мiж частинками якого задається сумою двох потенцiалiв Юкави (ЛД2Ю). Метою дослiджень є продемонструвати вплив, якому пiддаються властивостi моделi при замiнi “м’якого” вiдштовхування “твердим” кором. Розглянуто рiзнi вiдстанi для розмiщення твердого кору. Виявлено, що при температурах, трохи нижчих i трохи вищих за критичну температуру леннард-джонсiвського плину, перемiщення твердого кору на вiдстанi, коротшi за вiдстань з нульовою потенцiальною енергiєю, практично не змiнює термодинамiчних властивостей моделi, значення яких є дуже близькими до термодинамiчних характеристик ЛД2Ю моделi без твердого кору. Однак, при переходi в зону екстремально високих температур слiд бути обережним, оскiльки присутнiсть твердого кору провокує суттєвi змiни властивостей системи. Це застереження є дуже важливим при застосуваннi методу середньосферичного наближення до опису Леннард-Джонс-подiбного плину. 2011 Article Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data/ J. Krejčí, I. Nezbeda, R. Melnyk, A. Trokhymchuk // Condensed Matter Physics. — 2011. — Т. 14, № 3. — С. 33005: 1-11. — Бібліогр.: 13 назв. — англ. 1607-324X PACS: 01.65Q DOI:10.5488/CMP.14.33005 arXiv:1202.4262 http://dspace.nbuv.gov.ua/handle/123456789/120020 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 |
Monte Carlo simulation studies are performed for the Lennard-Jones like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of the soft repulsion by the hard-core repulsion. Different distances for the positioning of hard core have been explored. We have found, that for temperatures that are slightly lower and slightly higher of the critical point temperature for the Lennard-Jones fluid, placing the hard core at distances that are shorter than zero-potential energy is well justified by thermodynamic properties that are practically the same as in original LJ2Y model without hard core. However, going to extreme conditions with the high temperature one should be careful since presence of the hard core provokes changes in the properties of the system. The later is extremely important when the mean spherical approximation (MSA) theory is applied to treat the Lennard-Jones-like fluid. |
| format |
Article |
| author |
Krejčí, J. Nezbeda, I. Melnyk, R. Trokhymchuk, A. |
| spellingShingle |
Krejčí, J. Nezbeda, I. Melnyk, R. Trokhymchuk, A. Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data Condensed Matter Physics |
| author_facet |
Krejčí, J. Nezbeda, I. Melnyk, R. Trokhymchuk, A. |
| author_sort |
Krejčí, J. |
| title |
Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_short |
Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_full |
Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_fullStr |
Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_full_unstemmed |
Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data |
| title_sort |
mean spherical approximation for the lennard-jones-like two yukawa model: comparison against monte carlo data |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2011 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/120020 |
| citation_txt |
Mean spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data/ J. Krejčí, I. Nezbeda, R. Melnyk, A. Trokhymchuk // Condensed Matter Physics. — 2011. — Т. 14, № 3. — С. 33005: 1-11. — Бібліогр.: 13 назв. — англ. |
| series |
Condensed Matter Physics |
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