Article

Arhive, 2011, № 2

Thermophysical Properties of Materials

2011. V. 49. № 2. P. 193–198

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

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

The absorption of one to six ozone molecules by the ($\mathrm{H}_2$$\mathrm{O}$)$_{25}$ cluster is studied by the method of molecular dynamics under near-atmospheric conditions. The capture of $\mathrm{O}_3$ molecules by a water cluster produces a decrease in the integral intensity of IR absorption, reflection, and Raman spectra. IR absorption 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.

Article reference:
Galashev A.E., Rakhmanova O.R., Novruzova O.A. Molecular-Dynamic Modeling of the Spectral Characteristics of the Ozone–Water Cluster System, High Temp., 2011. V. 49. № 2. P. 193