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Главная » Статьи » 2008 » Colloid Journal

Computer Study of the Absorption of Ethane by Aqueous Ultradispersed Medium: IR Spectra
Computer Study of the Absorption of Ethane by Aqueous
Ultradispersed Medium: IR Spectra


Colloid Journal, 2008, Vol. 70, No. 1, pp. 55–63. © Pleiades Publishing, Ltd., 2008. Original Russian Text © A.N. Novruzov, O.R. Rakhmanova, A.E. Galashev, 2008, published in Kolloidnyi Zhurnal, 2008, Vol. 70, No. 1, pp. 61–70.

A. N. Novruzov, O. R. Rakhmanova, and A. E. Galashev

Abstract—Absorption of ethane molecules by water clusters containing 10–20 molecules is studied by the
molecular dynamics method. The (H2O)n (I),C2H6(H2O)n (II), and (C2H6)2(H2O)n (III) cluster systems are
composed on the basis of specific statistical weights. Spectral characteristics of system and single clusters are
determined in the frequency range of 0? ?? 1000 cm–1. In this frequency range, both real and imaginary parts
of dielectric permittivity decrease monotonically after the absorption of C2H6 molecules by an aqueous ultradispersed system. Integral coefficient of IR absorption increases, while average (over frequency) reflection coefficient decreases after the absorption of ethane molecules. The intensity of IR scattering by the systems of clusters containing C2H6 molecules lowers. Maximal values of radiation power for water clusters with various sizes
are balanced with the capture of ethane molecules by the clusters, whereas oscillations in the size dependence
of the density of electrons that are active with respect to IR radiation decrease.

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Категория: Colloid Journal | Добавил: watercluster (27.03.2009)
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