Molecular Dynamics simulations of supercritical ammonia and metal-ammonia solutions
The results of Molecular Dynamics simulations of supercritical ammonia are reported for the first time. Qualitative agreement is found with neutron diffraction studies, the only experimental evidence on the structure of supercritical ammonia, so far. Based on the experiences with aqueous electrolyt...
Збережено в:
| Дата: | 2000 |
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| Автори: | , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2000
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/121029 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Molecular Dynamics simulations of supercritical ammonia and metal-ammonia solutions / S. Hannongbua, M. Kiselev, K. Heinzinger // Condensed Matter Physics. — 2000. — Т. 3, № 2(22). — С. 381-392. — Бібліогр.: 26 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| Резюме: | The results of Molecular Dynamics simulations of supercritical ammonia
are reported for the first time. Qualitative agreement is found with neutron
diffraction studies, the only experimental evidence on the structure of supercritical ammonia, so far. Based on the experiences with aqueous electrolyte solutions, it is discussed how the potentials describing ion-ammonia
interactions in dilute and concentrated metal-ammonia solutions at subcritical conditions have to be modified for supercritical simulations. |
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