High Temperature, 2011, Vol. 49, No. 2, pp. 193–198. © Pleiades Publishing, Ltd., 2011. Original Russian Text © A.E. Galashev, O.R. Rakhmanova, O.A. Novruzova, 2011, published in Teplofizika Vysokikh Temperatur, 2011, Vol. 49, No. 2, pp. 201–206.

Molecular Dynamic Modeling of the Spectral Characteristics of the Ozone–Water Cluster System

A. E. Galashev, O. R. Rakhmanova, and O. A. Novruzova

Abstract—The absorption of one to six ozone molecules by the (H₂O)₂₅ cluster is studied by the method of molecular dynamics under near-atmospheric conditions. The capture of O₃ molecules by a water cluster produces a decrease in the integrated intensity of IR absorbance, reflectance, and Raman spectra. IR absorbance spectra are highly sensitive to the number of ozone molecules absorbed by a water cluster. The observed photon emission time and the radiation intensity of a dispersed aqueous system with absorbed ozone molecules are appreciably reduced relative to the analogous characteristics of a pure water cluster system.

/HighTemp_02_2011.pdf