Computer modeling of amorphous silica structures

An algorithm for large cluster construction for quantum-chemical modeling of amorphous silica structures is suggested. The algorithm is based on the conception that different species of disperse amorphous silica, namely aerosil, silica gel and aerogel are different polymorphic forms; that these polymorphic modifications can be classified by Libau's crystallochemical classification of silicates; that each classification mode is determined by the manufacturing method. The structure models presented are obtained in accordance with the algorithm and are in line with the chemical reactions forming the basis of commercial manufacturing of the products. © 1993 Akadémiai Kiadó.

Авторы
Khavryutchenko V.1 , Sheka E. 2
Редакторы
-
Издательство
Kluwer Academic Publishers
Номер выпуска
1-2
Язык
Английский
Страницы
389-414
Статус
Опубликовано
Подразделение
-
Номер
-
Том
50
Год
1993
Организации
  • 1 Institute of Surface Chemistry, Ukrainian Academy of Sciences, Kiev, Ukraine
  • 2 Russian Peoples' Friendship University, Moscow, 117302, Russian Federation
Ключевые слова
Algorithms; Amorphous materials; Computer simulation; Mathematical models; Molecular structure; Structure (composition); Large clusters; Polymorphic modifications; Structural models; Silica
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/990/