On the hydration of ions
This report will concentrate on ions which are produced in nuclear power reactors and/or which are of special interest because of their small radius and/or their high charges, leading to hydrolysis. Mainly the results of Molecular Dynamics simulations will be discussed as they are able to provide...
Збережено в:
| Дата: | 1999 |
|---|---|
| Автори: | , |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
1999
|
| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120393 |
| 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: | On the hydration of ions / K. Heinzinger, H. Scha // Condensed Matter Physics. — 1999. — Т. 2, № 2(18). — С. 273-284. — Бібліогр.: 23 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| Резюме: | This report will concentrate on ions which are produced in nuclear power
reactors and/or which are of special interest because of their small radius
and/or their high charges, leading to hydrolysis. Mainly the results of Molecular Dynamics simulations will be discussed as they are able to provide a
comprehensive and consistent description of the structural and dynamical
properties of the water molecules in the hydration shells of the ions. Whenever reactions between the ions and the water molecules can occur, it will
be necessary to employ ab initio simulations such as the Car-Parinello
method. The difficulties connected with the investigation of uranium and
plutonium ions with this method are discussed. |
|---|