Свойства и структура водородного флюида вблизи линии кристаллизации
В рамках неэмпирического атом-атомного приближения исследованы термодинамические свойства и функции распределения сильно сжатого молекулярного водорода. Квантовые поправки введены на основе вариационного подхода Фейнмана. Методом Монте-Карло рассчитаны давление, энергия, сжимаемость, тепловое расшир...
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Дата: | 2000 |
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Формат: | Стаття |
Мова: | Russian |
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Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2000
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Назва видання: | Физика низких температур |
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Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
Цитувати: | Свойства и структура водородного флюида вблизи линии кристаллизации / Е.С. Якуб // Физика низких температур. — 2000. — Т. 26, № 4. — С. 330-339. — Бібліогр.: 21 назв. — рос. |
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irk-123456789-1290552018-01-16T03:02:51Z Свойства и структура водородного флюида вблизи линии кристаллизации Якуб, Е.С. Квантовые жидкости и квантовые кpисталлы В рамках неэмпирического атом-атомного приближения исследованы термодинамические свойства и функции распределения сильно сжатого молекулярного водорода. Квантовые поправки введены на основе вариационного подхода Фейнмана. Методом Монте-Карло рассчитаны давление, энергия, сжимаемость, тепловое расширение, теплоемкость и скорость звука при температурах 200-500 K и давлениях до 5 ГПа. Результаты сопоставлены с имеющимися экспеpиментальными данными. Показана необходимость учета эффектов нежесткости молекул и квантовых эффектов при вычислении вкладов меж- и внутримолекулярных сил в термодинамические функции. Предсказано поведение свойств водородного флюида вблизи линии кристаллизации за пределами исследованной области и оценен скачок объема при кристаллизации водорода при T=300К. The thermodynamic properties and distribution functions of highly compressed molecular hydrogen are investigated in a nonempirical atom–atom approximation. Quantum corrections are introduced on the basis of the Feynman variational approach. The pressure, energy, compressibility, thermal expansion, heat capacity, and sound velocity are calculated by the Monte Carlo method at temperatures of 200–500 K and pressures up to 5 GPa. The results are compared with the available experimental data. It is shown that effects due to incompressibility of the molecules and quantum effects must be taken into account in calculating the contributions to the thermodynamic functions from inter- and intramolecular forces. The behavior of the properties of fluid hydrogen near the line of crystallization outside the investigated region is predicted, and an estimate is made for the jump in volume upon crystallization of hydrogen at T=300 K. 2000 Article Свойства и структура водородного флюида вблизи линии кристаллизации / Е.С. Якуб // Физика низких температур. — 2000. — Т. 26, № 4. — С. 330-339. — Бібліогр.: 21 назв. — рос. 0132-6414 PACS: 67.20.+k, 61.20.Ja, 61.25.Em, 05.70.Ce http://dspace.nbuv.gov.ua/handle/123456789/129055 ru Физика низких температур Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
collection |
DSpace DC |
language |
Russian |
topic |
Квантовые жидкости и квантовые кpисталлы Квантовые жидкости и квантовые кpисталлы |
spellingShingle |
Квантовые жидкости и квантовые кpисталлы Квантовые жидкости и квантовые кpисталлы Якуб, Е.С. Свойства и структура водородного флюида вблизи линии кристаллизации Физика низких температур |
description |
В рамках неэмпирического атом-атомного приближения исследованы термодинамические свойства и функции распределения сильно сжатого молекулярного водорода. Квантовые поправки введены на основе вариационного подхода Фейнмана. Методом Монте-Карло рассчитаны давление, энергия, сжимаемость, тепловое расширение, теплоемкость и скорость звука при температурах 200-500 K и давлениях до 5 ГПа. Результаты сопоставлены с имеющимися экспеpиментальными данными. Показана необходимость учета эффектов нежесткости молекул и квантовых эффектов при вычислении вкладов меж- и внутримолекулярных сил в термодинамические функции. Предсказано поведение свойств водородного флюида вблизи линии кристаллизации за пределами исследованной области и оценен скачок объема при кристаллизации водорода при T=300К. |
format |
Article |
author |
Якуб, Е.С. |
author_facet |
Якуб, Е.С. |
author_sort |
Якуб, Е.С. |
title |
Свойства и структура водородного флюида вблизи линии кристаллизации |
title_short |
Свойства и структура водородного флюида вблизи линии кристаллизации |
title_full |
Свойства и структура водородного флюида вблизи линии кристаллизации |
title_fullStr |
Свойства и структура водородного флюида вблизи линии кристаллизации |
title_full_unstemmed |
Свойства и структура водородного флюида вблизи линии кристаллизации |
title_sort |
свойства и структура водородного флюида вблизи линии кристаллизации |
publisher |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
publishDate |
2000 |
topic_facet |
Квантовые жидкости и квантовые кpисталлы |
url |
http://dspace.nbuv.gov.ua/handle/123456789/129055 |
citation_txt |
Свойства и структура водородного флюида вблизи линии кристаллизации / Е.С. Якуб // Физика низких температур. — 2000. — Т. 26, № 4. — С. 330-339. — Бібліогр.: 21 назв. — рос. |
series |
Физика низких температур |
work_keys_str_mv |
AT âkubes svojstvaistrukturavodorodnogoflûidavbliziliniikristallizacii |
first_indexed |
2025-07-09T10:30:03Z |
last_indexed |
2025-07-09T10:30:03Z |
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1837164925832658944 |
fulltext |
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