Theoretical and Experimental Chemistry

, Volume 26, Issue 5, pp 561–565 | Cite as

Theoretical investigation of changes in the thermodynamic properties of water in the region near an electrode upon the discharge of an hydroxonium ion

  • L. L. édel'shtein
  • I. I. Sheikhet
  • B. Ya. Simkin
Brief Communications


A method for investigating solutions in the region near an electrode has been developed in the framework of the Monte Carlo method. The energies of the reorganization of water upon the transfer of an electron to a hydroxonium ion from the unpolarized surface of an absolutely solid charged electrode in the range of surface charge densities from +0.056 to −0.640 C/m2 and upon the reverse process have been calculated. The hydration energies of an H3O+ cation and an H3O radical in the region near an electrode have been calculated. The effective interactions of an ion and a nonpolar molecule with an electrode in a solution have been analyzed.


Hydration Monte Carlo Method Charge Density Surface Charge Thermodynamic Property 
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Copyright information

© Plenum Publishing Corporation 1991

Authors and Affiliations

  • L. L. édel'shtein
    • 1
  • I. I. Sheikhet
    • 1
  • B. Ya. Simkin
    • 1
  1. 1.Scientific-Research Institute of Physical Organic ChemistryRostov UniversityUSSR

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