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Comparative energies of Zn(II) cation localization as a function of the distance between two forming cation position aluminium ions in high-silica zeolitesстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Kachurovskaya N.A., Zhidomirov G.M., Van Santen R.A.
- Журнал: Research on Chemical Intermediates
- Том: 30
- Номер: 1
- Год издания: 2004
- Издательство: V S P
- Местоположение издательства: Netherlands
- Первая страница: 99
- Последняя страница: 103
- DOI: 10.1163/156856704322798089
- Аннотация: Periodical calculations of Zn(II) metal cation stabilization in cationic positions with distantly placed aluminium ions has been performed for high-silica ferrierite. It was found that decrease of the stabilization energy at large distances between Al ions (more than 10 Å) is about of 2 eV in comparison with nearest possible position of two Al ions in the zeolite lattice and weekly depended on following increase of the Al-Al distance. Main changes in stabilization energy occured within a 3-Å interval of these distances. Only for the localizations of both Al ions in one zeolite ring zinc cationic form is more stable than hydrogen form.
- Добавил в систему: Жидомиров Георгий Михайлович