Estimation of the orientation type of H2O molecules in the adsorbed layer on the surface of SiO2 airgel nanopores
Yu.N. Ponomarev1, V.N. Cherepanov1, R.T. Nasibulin1, A.A. Simonova1
National Research Tomsk State University, Tomsk, Russia
Keywords: aerogel, nanopores, intermolecular interaction
Abstract
The possibility of determining the orientation of H2O molecules adsorbed on the surface of SiO2 airgel nanopores is studied. The interaction energy of a free H2O molecule with H2O molecules adsorbed on the surface of a nanopore are quantum-chemical calculated for the cases of their chaotic and ordered orientations. Experimental data on the broadening of the vibrational-rotational absorption lines of H2O in airgel nanopores are analyzed. It is shown that the experimental data correspond to the model of orderly oriented H2O molecules on the surface of nanopores.
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