Computer Study of Methane Adsorption by Water Clusters

High Temperature, 2013, Vol. 51, No. 3, pp. 369–376. © Pleiades Publishing, Ltd., 2013.

Original Russian Text © A.E. Galashev, O.R. Rakhmanova, 2013, published in Teplofizika Vysokikh Temperatur, 2013, Vol. 51, No. 3, pp. 412–420.

A. E. Galashev and O. R. Rakhmanova

Abstract—Methane adsorption by water clusters including 50 molecules was studied by the molecular dynamics (MD) technique. The calculated frequency dependence of the real and imaginary parts of the dielectric permittivity points to the prevalence of a high-frequency mode in the spectra of these parameters after methane is adsorbed by water clusters. Such changes are also observed in the spectrum of the IR radiation absorption coefficient; however, the average value of this coefficient remains nearly the same. Methane adsorption causes a considerable increase in the reflection coefficient of the disperse water medium and the integrated power of IR radiation emission.

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