Modeling of Crystallization Process in Confined Melt of Sulfuric Acid Catalyst Научная публикация
Журнал |
The Journal of Physical Chemistry B
ISSN: 1520-6106 , E-ISSN: 1520-5207 |
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Вых. Данные | Год: 2005, Том: 109, Номер: 43, Страницы: 20051-20054 Страниц : 4 DOI: 10.1021/jp052642k | ||
Ключевые слова | Catalysts; Computer simulation; Mathematical models; Monte Carlo methods; Pore size; Sulfuric acid; Vanadium compounds | ||
Авторы |
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Организации |
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Информация о финансировании (1)
1 | Российский фонд фундаментальных исследований | 99-03-32425 |
Реферат:
Metropolis Monte Carlo technique has been applied to simulate the crystallization process in the melt of vanadium sulfuric acid supported catalysts. The melt is a lattice binary compound consisting of (V4+)2 and (V5+)2 binuclear complexes (dimers) confined by pore walls of cylindrical or slitlike shape. It has been shown that the crystallization process retards significantly as the pore size decreases. This result is in good agreement with the experimental data obtained earlier. The effect of the energy properties of pore walls (attractive, repulsive, or inert) on the crystallization features has been studied as well.
Библиографическая ссылка:
Efremov D.
, Elokhin V.
, Bal'zhinimaev B.
Modeling of Crystallization Process in Confined Melt of Sulfuric Acid Catalyst
The Journal of Physical Chemistry B. 2005. V.109. N43. P.20051-20054. DOI: 10.1021/jp052642k WOS Scopus РИНЦ
Modeling of Crystallization Process in Confined Melt of Sulfuric Acid Catalyst
The Journal of Physical Chemistry B. 2005. V.109. N43. P.20051-20054. DOI: 10.1021/jp052642k WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 20 мая 2005 г. |
Принята к публикации: | 21 сент. 2005 г. |
Опубликована online: | 7 окт. 2005 г. |
Опубликована в печати: | 1 нояб. 2005 г. |
Идентификаторы БД:
Web of science | WOS:000232959800001 |
Scopus | 2-s2.0-27744555235 |
РИНЦ | 13495783 |
Chemical Abstracts | 2005:1071147 |
Chemical Abstracts (print) | 143:333504 |
PMID (PubMed) | 16853590 |
OpenAlex | W2076811470 |
Цитирование в БД:
Пока нет цитирований