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Dielectric Characteristics of O2(H2O)i and (O2)2(H2O)i Clusters. Computer-Aided Experiment
Dielectric Characteristics of O2(H2O)i and (O2)2(H2O)i
Clusters. Computer-Aided Experiment

ISSN 1061-933X, Colloid Journal, 2006, Vol. 68, No. 2, pp. 131–136. © Pleiades Publishing, Inc., 2006.
Original Russian Text © A.E. Galashev, V.N. Chukanov, O.A. Galasheva, 2006, published in Kolloidnyi Zhurnal, 2006, Vol. 68, No. 2, pp. 155–160.

A. E. Galashev, V. N. Chukanov, and O. A. Galasheva

Abstract—Absorption of oxygen molecules by water clusters with sizes of 10≤i≤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 O2 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 O2 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 O2 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.

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