RUS  ENG JOURNALS   PEOPLE   ORGANISATIONS   CONFERENCES   SEMINARS   VIDEO LIBRARY   PACKAGE AMSBIB
 General information Latest issue Forthcoming papers Archive Impact factor Guidelines for authors Submit a manuscript Search papers Search references RSS Latest issue Current issues Archive issues What is RSS

 TVT: Year: Volume: Issue: Page: Find

 TVT, 2008, Volume 46, Issue 1, Pages 66–75 (Mi tvt1002)

Thermophysical Properties of Materials

Numerical simulation of IR absorption, reflection, and scattering in dispersed water-oxygen media

O. A. Novruzova, A. E. Galashev

Institute of Industrial Ecology Ural Branch of RAS, Ekaterinburg

Abstract: The method of molecular dynamics along with the flexible model of molecules are used to study the spectral characteristics of systems of clusters of (H$_2$O)$_n$, (O$_2$)$_m$ (H$_2$O)$_n$, and (O)$_i$ (H$_2$O)$_n$, $m \le 2$, $i \le 4$, $10 \le n \le 50$. It is demonstrated that the integral intensity of absorption of IR radiation decays after water clusters adsorb oxygen. In addition, the adsorption of oxygen causes a significant decrease in the reflection coefficient $R$ of monochromatic IR radiation. In so doing, the $R(\omega)$ spectrum splits into bands and exhibits seven peaks in the frequency region of $0 \le \omega \le 3500$ cm$^{-1}$. The dissociation of oxygen molecules captured by clusters makes the peaks of $R(\omega)$ spectrum more resolved. The attachment of molecular oxygen by clusters leads to decay of the power of their IR radiation, while the capture of atomic oxygen, on the contrary, is accompanied by an increase in the rate of dissipation of energy accumulated by water aggregates.

Full text: PDF file (853 kB)

English version:
High Temperature, 2008, 46:1, 60–68

Bibliographic databases:

UDC: 535.34:535.233
PACS: 33.20Ea; 36.40 Vz

Citation: O. A. Novruzova, A. E. Galashev, “Numerical simulation of IR absorption, reflection, and scattering in dispersed water-oxygen media”, TVT, 46:1 (2008), 66–75; High Temperature, 46:1 (2008), 60–68

Citation in format AMSBIB
\Bibitem{NovGal08} \by O.~A.~Novruzova, A.~E.~Galashev \paper Numerical simulation of IR absorption, reflection, and scattering in dispersed water-oxygen media \jour TVT \yr 2008 \vol 46 \issue 1 \pages 66--75 \mathnet{http://mi.mathnet.ru/tvt1002} \elib{http://elibrary.ru/item.asp?id=9594541} \transl \jour High Temperature \yr 2008 \vol 46 \issue 1 \pages 60--68 \crossref{https://doi.org/10.1134/s10740-008-1009-y} \isi{http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&DestLinkType=FullRecord&DestApp=ALL_WOS&KeyUT=000253359900009} \elib{http://elibrary.ru/item.asp?id=13579024} \scopus{http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-43249096339} 

• http://mi.mathnet.ru/eng/tvt1002
• http://mi.mathnet.ru/eng/tvt/v46/i1/p66

 SHARE:

Citing articles on Google Scholar: Russian citations, English citations
Related articles on Google Scholar: Russian articles, English articles

This publication is cited in the following articles:
1. A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova, “Molecular-Dynamic Modeling of the Spectral Characteristics of the Ozone–Water Cluster System”, High Temperature, 49:2 (2011), 193–198
2. A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova, “Computational Study of Interaction of Bromine Ions with Clusters $\mathrm{(O}_2)_6$$(\mathrm{H}_2$$\mathrm{O})_{50}$ and $\mathrm{(O}_3)_6$$(\mathrm{H}_2$$\mathrm{O})_{50}$”, High Temperature, 49:4 (2011), 528–538
3. A. E. Galashev, “Molecular dynamics simulation of adsorption of ozone and nitrate ions by water clusters”, High Temperature, 50:2 (2012), 204–213
4. Galashev A.Y., “Modeling the Interaction of Nitrate Anions With Ozone and Atmospheric Moisture”, Chin. Phys. B, 24:10 (2015), 103601