Вид документа : Статья из журнала Шифр издания : 53/G 15 Автор(ы) : Galashev A. E., Rakhmanova O. R. Заглавие : Computer-assisted study of characteristics of water clusters in the presence of nitrogen dioxide Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol.72, №4. - С. 478-485 ББК : 53 Предметные рубрики: ФИЗИКА Ключевые слова (''Своб.индексиров.''): heat emission--heteroclusters--ir absorption Аннотация: The interaction of IR radiation with water clusters that have absorbed NO 2 molecules is studied by the molecular dynamics method in terms of the polarizable model. Induced dipole moments of H 2O and NO 2 molecules diminish during the addition of one to six NO 2 molecules to (H 2O) 50 cluster. The integral intensity of IR absorption by a system consisting of (NO 2) i(H 2O) 50 heteroclusters with 1 ≤ i ≤ 6 decreases, whereas the power of heat emission rises as compared with an (H 2O) n system. The decrease in the IR absorption and the increase in the IR emission by water clusters with the capture of NO 2 molecules are nonmonotonic. The absorption of NO 2 molecules by water clusters causes a noticeable reduction in the intensity of the first peak and the confluence of the fourth and fifth peaks in the Raman spectrum Доп.точки доступа: Rakhmanova, O. R.; Галашев Александр Евгеньевич; Институт теплофизики УрО РАН