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Spatial localization and dynamics of water molecules with good tetrahedral surroundings

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Abstract

The local structure of the molecular- dynamic model of water (729 particles at 300 K) is analyzed by isolating molecules whose surroundings differ slightly in configuration from a regular tetrahedron. These molecules are not randomly distributed in space but form nanometer clusters having a fractal structure. In these clusters, molecules are less mobile than the model molecules in general;their self- correlation function of rate and the density of vibrational states also differ from the average characteristics of the system.

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Authors and Affiliations

  1. Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences, Russia

    Yu. I. Naberukhin, V. A. Luchnikov, G. G. Malenkov & E. A. Zheligovskaya

Authors
  1. Yu. I. Naberukhin
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  2. V. A. Luchnikov
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  3. G. G. Malenkov
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  4. E. A. Zheligovskaya
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Additional information

Translated fromZhumal Strukturnoi Khimii, Vol. 38, No. 4, pp. 713–722, July–August, 1997.

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Naberukhin, Y.I., Luchnikov, V.A., Malenkov, G.G. et al. Spatial localization and dynamics of water molecules with good tetrahedral surroundings. J Struct Chem 38, 593–600 (1997). https://doi.org/10.1007/BF02762742

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  • DOI: https://doi.org/10.1007/BF02762742

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