Concentration Dependences of the Dynamic Properties of NaCl Aqueous Solution on the Basis of the Results of Molecular Dynamics and Quasi-Elastic Neutron Scattering Researches

  • N. A. Atamas Taras Shevchenko National University of Kyiv, Faculty of Physics
  • L. A. Bulavin Taras Shevchenko National University of Kyiv, Faculty of Physics
  • G. N. Verbinskaya Taras Shevchenko National University of Kyiv, Faculty of Physics
  • A. V. Brytan Taras Shevchenko National University of Kyiv, Faculty of Physics
Keywords: aqueous solution, electrolyte, molecular simulation, hydration shell, dwell time, diffusion coefficient

Abstract

The results of researches concerning the influence of the concentration on the structural and dynamic properties of a NaCl aqueous solution in the concentration interval 0.00 ≤ XNaCl ≤ 0.28 m.f. at the temperature T = 300 K obtained using the molecular dynamics and quasi-elastic neutron scattering methods are reported.

References

M. Gugliotti and M. Politi, J. Biophys. Chem. 89, 243 (2001).

http://dx.doi.org/10.1016/S0301-4622(00)00240-4

S.E. Mclain, S. Imberti, and A.K. Soper, Phys. Rev. B 74, 094201 (2006).

http://dx.doi.org/10.1103/PhysRevB.74.094201

B. Alberts, A. Johnson, J. Lewis et al., Ion Channels and Electrical Properties of Membranes. Molecular Biology of the Cell (Garland Sci., New York, 2002).

G. Roy, J. Membr. Biophys. 6, 329 (1971).

http://dx.doi.org/10.1007/BF02116578

A.G. Lee, Nat. Struct. Biol. 10, 411 (2003).

http://dx.doi.org/10.1038/nsb0603-411

M.P. Allen and D.Y. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 2010).

P.B. Balbuena, K.P. Johnston, and P.J. Rossky, J. Phys. Chem. 100, 2706 (1996).

http://dx.doi.org/10.1021/jp952194o

T.R. Forester, The DL-POLY-2.0. User Manual (Daresbury Lab., Daresbury, UK, 2013).

P.B. Balbuena, K.P. Johnston, and P.J. Rossky, J. Phys. Chem. 99, 5196 (1995).

J.R. Grigera and T.P. Straatsma, J. Phys. Chem. 91, 6269 (1987)

H.J.C. Berendsen, J.R. Grigera, and T.P. Straatsma, J. Phys. Chem. 91, 6269 (1987).

http://dx.doi.org/10.1021/j100308a038

T. Schlick, Molecular Modeling and Simulation: An Interdisciplinary Guide (Springer, New York, 2002).

http://dx.doi.org/10.1007/978-0-387-22464-0

M. Branka, B.M. Ladanyi, and M. Maroncelli, J. Chem. Phys. 109, 3204 (1998).

http://dx.doi.org/10.1063/1.476565

L.A. Bulavin, T.V. Karmazina, and V.V. Klepko, Neutron Spectroscopy of Condensed Media (Akademperiodyka, Kyiv, 2005) (in Russian).

V.T. Krotenko, A.K. Dorosh, and P.G. Ivanitskii, Zh. Strukt. Khim. 33, 72 (1992).

V.S. Oskotskii, Fiz. Tverd. Tela 5, 1082 (1963).

T.V. Lokotosh, N.P. Malomuzh, and K.P. Pankratov, Zh. Fiz. Khim. 85, 1892 (2011).

S.S. Xantheats, J. Chem. Phys. 258, 225 (2000).

Published
2019-01-17
How to Cite
Atamas, N., Bulavin, L., Verbinskaya, G., & Brytan, A. (2019). Concentration Dependences of the Dynamic Properties of NaCl Aqueous Solution on the Basis of the Results of Molecular Dynamics and Quasi-Elastic Neutron Scattering Researches. Ukrainian Journal of Physics, 60(6), 503. https://doi.org/10.15407/ujpe60.06.0503
Section
Soft matter

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