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Current issue   Ukr. J. Phys. 2015, Vol. 60, N 8, p.757-763
https://doi.org/10.15407/ujpe60.08.0757    Paper

Voloshin V.P.1, Malenkov G.G.2, Naberukhin Yu.I.1,3

1 V.V. Voevodskii Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences
(3, Institutskaya Str., Novosibirsk 630090, Russia)
2 A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences
(31, Leninskii Ave., Moscow 119071, Russia)
3 Novosibirsk State University
(2, Pirogova Str., Novosibirsk 630090, Russia; e-mail: naber@ngs.ru)

Long-Term Correlations In Diffusive Motion Of Water Molecules And Rare Gas Atoms In Helium And Argon Aqueous Solutions

Section: Soft matter
Language: Russian

Abstract: Collective effects in the diffusive motion of aqueous systems consisting of 10,000 particles (pure water, He and Ar aqueous solutions) are studied, by using the molecular dynamics simulation. The two-particle correlation function DP(t), which is the average scalar product of the displacement vectors of two molecules initially separated by distances lying in certain narrow intervals, is calculated. The calculations were carried out for water molecules and for atoms of rare gases. The presence of He and Ar atoms in 3%-solutions is shown to weakly affect the form of the DP(t) function for water molecules. For He and Ar atoms in aqueous solutions, as well as in the cases of water molecules and Ar atoms in pure liquids, the corresponding correlation functions are found to have a plateau. For a system composed of 1,000 Ar atoms and 9,000 water molecules, no homogeneous liquid solution is obtained even at high pressures.

Key words: molecular dynamics, diffusive motion, collective effects, He and Ar aqueous solutions.


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