Studies of the adsorption of N2 on the graphite basal plane by computer simulation

A molecular model for the physical adsorption of nitrogen on graphitized carbon black (gcb) has been utilized extensively in computer simulations of this system. After a brief review of the details of the model and of the simulation technique, a number of results produced in the course of these studies are summarized. These include the thermodynamic and structural properties of N2 adsorbed on gcb at 73.6 K and at coverages ranging up to ~2 1 2 monolayers. Changes in molecular orientation relative to the surface are found to have a significant effect on the lateral interaction in a layer; variations in packing density in the first layer are discussed; and the rate of molecular interchange between first and second layers is characterized. Likely directions for future simulation studies of physisorbed films are proposed. © 1987.

Авторы
Steele W.A.1 , Vernov A.V. 2 , Tildesley D.J.3
Редакторы
-
Журнал
Издательство
Elsevier Ltd
Номер выпуска
1
Язык
Английский
Страницы
7-17
Статус
Опубликовано
Подразделение
-
Номер
-
Том
25
Год
1987
Организации
  • 1 Department of Chemistry, The Pennsylvania State University, University Park, PA 16802, United States
  • 2 Department of Physical and Colloid Chemistry, People's Friendship University, 117302 Moscow, Russian Federation
  • 3 Department of Chemistry, The University, Southampton, England, United Kingdom
Ключевые слова
Adsorption; basal plane; computer simulation; nitrogen
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/1316/