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Главная » Статьи » 2010 » Colloid Journal

Computer-Assisted Study of Characteristics of Water Clusters in the Presence of Nitrogen Dioxide

Colloid Journal, 2010, Vol. 72, No. 4, pp. 478–485. © Pleiades Publishing, Ltd., 2010. Original Russian Text © A.E. Galashev, O.R. Rakhmanova, 2010, published in Kolloidnyi Zhurnal, 2010, Vol. 72, No. 4, pp. 473–480.

Computer-Assisted Study of Characteristics of Water Clusters in the Presence of Nitrogen Dioxide

A. E. Galashev and O. R. Rakhmanova

 

Abstract—The interaction of IR radiation with water clusters that have absorbed NO2 molecules is studied by the molecular dynamics method in terms of the polarizable model. Induced dipole moments of H2O and NO2 molecules diminish during the addition of one to six NO2 molecules to (H2O)50 cluster. The integral intensity of IR absorption by a system consisting of (NO2)i(H2O)50 heteroclusters with 1 ≤ i ≤ 6 decreases, whereas the power of heat emission rises as compared with an (H2O)n system. The decrease in the IR absorption and the increase in the IR emission by water clusters with the capture of NO2 molecules are nonmonotonic. The absorption of NO2 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.

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Категория: Colloid Journal | Добавил: watercluster (15.03.2011)
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