Molecular dynamics study of spectral characteristics of water-carbon oxide disperse systems

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.