Journal of Structural Chemistry

, Volume 37, Issue 2, pp 260–269 | Cite as

Molecular dynamic study of hydrophilicity of the NaCl molecule

  • F. Sigon
  • A. Servida
  • A. E. Galashev
Article
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Abstract

The NaCl molecule is represented as a physical dipole in which the distance between the ions equals that in the crystal lattice of NaCl. The water molecules, initially uniformly distributed in the sphere around the NaCl molecule, in 1 or 2 ps form a hydration shell around the positively charged sodium ion, leaving the negatively charged chloride ion naked. When the number of water molecules around the sodium ion reaches 14, the NaCl(H2O)14 cluster becomes sensitive only to thermal perturbations that are due to the librational motion of water molecules. It is shown that the dependence of the cluster volume on the number of water molecules in the cluster does not admit simple linear approximation.

Keywords

Water Molecule Radial Distribution Function Triple Intersection Hydration Layer Isobaric Heat Capacity 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Copyright information

© Plenum Publishing Corporation 1996

Authors and Affiliations

  • F. Sigon
  • A. Servida
  • A. E. Galashev

There are no affiliations available

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