Dielectric characteristics of O sub(2)(H sub(2)O) sub(i) and (O sub(2)) sub(2)(H sub(2)O) sub(i) clusters. Computer-aided experiment

• Published in: Colloid journal of the Russian Academy of Sciences 2006-03, Vol.68 (2), p.131-136
• Main Authors: Galashev, A E, Chukanov, V N, Galasheva, O A
• Format: Article
• Language: English
• ISSN: 1061-933X; 0023-2912
• DOI: 10.1134/S1061933X06020025

Absorption of oxygen molecules by water clusters with sizes of 10 less than or equal to i less than or equal to 50 is studied by the molecular dynamics method using the modified TIP4P model. It is revealed that the total dipole moment of the clusters nonmonotonically increases with their sizes. Absorption of O sub(2) molecules tends to raise the static permittivity of the ultradispersed medium formed by the clusters. The real and imaginary parts of the permittivity of water clusters with absorbed O sub(2) molecules are aperiodic functions of frequency. The permittivity components turn out to be nonmonotonic functions of cluster sizes. The IR absorption and reflectance spectra are calculated for clusters of pure water and aggregates with absorbed O sub(2) molecules. After the addition of oxygen molecules, the absorption coefficient of the clusters decreases, while the reflection coefficient increases. It is concluded that the capture of oxygen molecules by atmospheric moisture may reduce the greenhouse effect.