Вид документа : Статья из журнала Шифр издания : 53/G 15 Автор(ы) : Galashev A. E. Заглавие : Molecular dynamics simulation of adsorption of ozone and nitrate ions by water clusters Место публикации : High Temperature. - 2012. - Vol.50, №2. - С. 204-213 ББК : 53 Предметные рубрики: ФИЗИКА Ключевые слова (''Своб.индексиров.''): co-adsorption--disperse systems--nitrate ions Аннотация: Coadsorption of ozone molecules and nitrate ions by water clusters was studied by the molecular dynamics technique. The maximum value of an average O-H⋯O bond length in a water carcass is realized at the minimum specific number of such bonds when the ratio of adsorbed ozone molecules to nitrate ions captured by a cluster is two. IR absorption and reflection spectra were reshaped significantly, and new peaks appeared at Raman spectra due to the addition of ozone and nitrate ions to the disperse water system. After ozone and nitrate ions were captured, the average (in frequency) IR reflection coefficient of the water disperse system increased drastically and the absorption coefficient fell Доп.точки доступа: Галашев Александр Евгеньевич; Институт теплофизики УрО РАН