Spectral effects of the clusterization of greenhouse gases: Computer experiment

摘要

Autocorrelation functions of the total dipole moment of clusters composed of H2O and N2O molecules are calculated in terms of the molecular dynamics method. The IR absorption and reflection spectra of systems composed of (H2O)(i), N2O(H2O)(i), and (N2O)(2)(H2O)(i) clusters (2 <= i <= 20) are obtained on the basis of these functions. Frequency-dependent dielectric permittivity of clusters increases after the absorption of N2O molecules. The absorption coefficient of cluster systems with trapped N2O molecules increases at low frequencies and decays at frequencies omega > 500 cm(-1). The inclusion of N2O molecules increases also reflection coefficient R and changes the pattern of R(omega) spectra. The absorption of IR radiation increases with the number of H2O molecules in clusters. Dielectric losses also increase with an increase in i number upon the absorption of N2O molecules. The number of electrons interacting with an incident electromagnetic wave increases upon the capture of N2O molecules.