Long-Term Correlations in Diffusive Motion of Water Molecules and Rare Gas Atoms in Helium and Argon Aqueous Solutions

  • V. P. Voloshin V.V. Voevodskii Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences
  • G. G. Malenkov A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences
  • Yu. I. Naberukhin V.V. Voevodskii Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences, Novosibirsk State University
Keywords: molecular dynamics, diffusive motion, collective effects, He and Ar aqueous solutions

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.

References

V.P. Voloshin, G.G. Malenkov, and Yu.I. Naberukhin, J. Struct. Chem. 54, Suppl. 2, S239 (2013).

http://dx.doi.org/10.1134/S0022476613080052

V.P. Voloshin, G.G. Malenkov, and Yu.I. Naberukhin, J. Struct. Chem. 55, 1199 (2014).

http://dx.doi.org/10.1134/S0022476614060134

V.P. Voloshin and Yu.I. Naberukhin, J. Struct. Chem. (to be published).

Handbook of Solubility, Vol. 1, Book 1, edited by V.V. Kafarov (Izd. Akad. Nauk SSSR, Moscow–Leningrad, 1961).

G.G. Malenkov, J. Struct. Chem. 54, Suppl. 2, S258 (2013).

http://dx.doi.org/10.1134/S0022476613080064

A. Kahane, Solid State Commun. 7, 1055 (1969).

http://dx.doi.org/10.1016/0038-1098(69)90469-4

A.Yu. Namiot and L.E. Gorodetskaya, Dokl. Akad. Nauk SSSR 190, 604 (1970).

D. Lodono, W.F. Kuhs, and J.L. Finney, Nature 332, 141 (1988).

http://dx.doi.org/10.1038/332141a0

D. Lodono, J.L. Finney, and W.F. Kuhs, J. Chem. Phys. 97, 547 (1992).

http://dx.doi.org/10.1063/1.463602

G.G. Malenkov, I. Natkaniec, L.S. Smirnov et al., High Press. Res. 16, 201 (1999).

http://dx.doi.org/10.1080/08957959908200292

C. Lobban, J.L. Finney, and W.F. Kuhs, J. Chem. Phys. 117, 3928 (2002).

http://dx.doi.org/10.1063/1.1495837

R. Wiebe and W. Gaddy, J. Am. Chem. Soc. 57, 847 (1935).

http://dx.doi.org/10.1021/ja01308a017

G.F. Gardiner and N.O. Smith, J. Phys. Chem. 76, 1195 (1972).

http://dx.doi.org/10.1021/j100652a019

V.I. Kosyakov and V.A. Shestakov, Zh. Fiz. Khim. 76, 716 (2002).

R.P. Kennan and G.L. Pollack, J. Chem Phys. 93, 2724 (1990).

http://dx.doi.org/10.1063/1.458911

A.L. Hines and R.N. Maddox, Mass Tranfer. Fundamentals and Applications (Prentice-Hall, Englewood Cliffs, NJ, 1985).

A.Yu. Manakov and Yu.A. Dyadin, Zh. Ross. Khim. Obshch. Mendeleev. 47, No. 3, 28 (2003).

M. Holtz, S.R. Heil, and H.D. Sacco, Phys. Chem. Chem. Phys. 2, 291 (2000).

http://dx.doi.org/10.1039/a907547j

V.I. Poltev, T.A. Grokhlina, and G.G. Malenkov, J. Biomol. Struct. Dyn. 2, 421 (1984).

http://dx.doi.org/10.1080/07391102.1984.10507576

G.G. Malenkov, Yu.I. Naberukhin, and V.P. Voloshin, Russian J. General Chem. 81, 191 (2011).

http://dx.doi.org/10.1134/S1070363211010361

L.A. Bulavin, T.V. Lokotosh, and N.P. Malomuzh, J. Mol. Liq. 137, 1 (2008).

http://dx.doi.org/10.1016/j.molliq.2007.05.003

Published
2019-01-15
How to Cite
Voloshin, V., Malenkov, G., & Naberukhin, Y. (2019). Long-Term Correlations in Diffusive Motion of Water Molecules and Rare Gas Atoms in Helium and Argon Aqueous Solutions. Ukrainian Journal of Physics, 60(8), 757. https://doi.org/10.15407/ujpe60.08.0757
Section
Soft matter