Molecular Dynamics Study of Spectral Characteristics of Water–Carbon Oxide Disperse Systems
Molecular Dynamics Study of Spectral
Characteristics of Water–Carbon Oxide Disperse Systems
A. E. Galashev and O. R. Rakhmanova
Abstract. Absorption and reflection IR spectra of
aqueous disperse systems that absorbed carbon oxide molecules are calculated. Systems of small and large
clusters containing 2≤n≤10 and 11≤n≤20 water molecules, respectively, are studied. Each cluster
can absorb one or two carbon oxide molecules. Both real and imaginary parts of dielectric permittivity of
disperse systems depend on the number of adsorbed CO molecules to a greater extent than that of water molecules in
clusters. The integral intensity of the absorption of IR radiation by cluster
systems increases after the absorption of
carbon oxide molecules by clusters. However, the ability to absorb and reflect IR radiation decreases with an
increase in the concentration of absorbed CO molecules. Upon the growth of heteroclusters due to addition of water
molecules, integral intensity of the absorption of thermal radiation can be enhanced or damped. In general, the
clusterization and capture of CO molecules by clusters result in an anti-greenhouse effect.
