Skip to main content
SpringerLink
Log in

Structure and electric properties of sodium ion hydrate shell in nanopore with hydrophilic walls

  • Published:
Russian Journal of Electrochemistry Aims and scope Submit manuscript

Abstract

The method of molecular–level computer simulation at the temperature of 298 K was used to study the fundamental regularities of formation of electric properties of the hydrate shell of the Na+ cation in a planar model nanopore with hydrophilic structureless walls in contact with water vapors. Electric polarizability changes nonmonotonously: as consistent with the changes in the molecular structure of the system. Hydration within the pore occurs in several stages, from formation of chain structures, microdrop compaction and ejection of the ion from its own hydrate shell to encapsulation and absorption of the ion by the solvent preceding formation of nanoelectrolyte. Despite the significant differences in the energy of retaining hydrate shells for Na+ and Cl─ ions, polarizabilities of the two systems are close and behave similarly under variation of conditions. Strong spatial anisotropy of the polarizability tensor of the ion–hydrate complex is due to the effect of the nanopore walls on multiparticle spatial correlations in the system.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. New, K.H., Langford, S.C., and Dickinson, J.T., Appl. Surf. Sci., 2002, vol. 197, p. 83.

    Google Scholar 

  2. Asencio, R.A., Sababi, M., Pan, J., Ejnermark, S., Ekman, L., and Rutland, M.W., Corros. Sci., 2014, vol. 89, p. 236.

    Article  Google Scholar 

  3. Doyle, D.A., Cabral, J.M., Pfuetzner, R.A., Kuo, A., Gulbis, J.M., Cohen, S.L., and Chait, B.T., MacKinnon, R., Science, 1998, vol. 280, p. 69.

    Article  CAS  Google Scholar 

  4. Bakhanova, R.A., Kuku, E.I., Silaev, A.V., Tovstenko, L.M., and Khusid, S.V., Trudy Vsesoyuz. konf. “Aktivnye vozdeistviya na gidrometeorologicheskie protsessy”, Nal’chik, 22-25 oktyabrya 1991 g. Ch. 2 (Proceedings of All-Union Conference “Active Impact on Hydrometeorological Processes,” Nalchik, October 22–25, 1991, Chapter 2), St. Petersburg: Gidrometeoizdat, 1995, p. 218.

    Google Scholar 

  5. Scrosati, B., Nature Nanotechnol., 2007, vol. 2, p. 598.

    Article  CAS  Google Scholar 

  6. Hu, Y.-Sh., Guo, Y.-G., Sigle, W., Hore, S., Balaya, P., and Maier, J., Nature Mater., 2006, vol. 5, p. 713.

    Article  CAS  Google Scholar 

  7. Chan, C.K., Peng, H., Liu, G., McIlwrath, K., Zhang, X.F., Huggins, R.A., and Cui, Y., Nature Nanotechnol., 2008, vol. 3, p. 31.

    Article  CAS  Google Scholar 

  8. Grigoriev, S.A., Fedotov, A.A., Fateev, V.N., and Martemianov, S.A., Russ. J. Electrochem., 2016, vol. 52, p. 714.

    Google Scholar 

  9. Simon, P. and Gogotsi, Y., Nature Mater., 2008, vol. 7, p. 845.

    Article  CAS  Google Scholar 

  10. Brezesinski, T., Wang, J., Tolbert, S.H., and Dunn, B., Nature Mater., 2010, vol. 9, p. 146.

    Article  CAS  Google Scholar 

  11. Ponomarenko, I.V., Parfenov, V.A., Solyanikova, A.S., Chayka, M.Yu., Kravchenko, T.A., and Kirik, S.D., Russ. J. Electrochem., 2015, vol. 51, p. 764.

    Article  CAS  Google Scholar 

  12. Li, G.V., Astrova, E.V., Rumyantsev, A.M., Voronkov, V.B., Parfen’eva, A.V., Tolmachev, V.A., Kulova, T.L., and Skudin, A.M., Russ. J. Electrochem., 2015, vol. 51, p. 899.

    Article  CAS  Google Scholar 

  13. Arico, A.S., Bruce, P., Scrosati, B., Tarascon, J.-M., and van Schalkwijk, W., Nature Mater., 2005, vol. 4, p. 366.

    Article  CAS  Google Scholar 

  14. Maier, J., Nature Mater., 2005, vol. 4, p. 805.

    Article  CAS  Google Scholar 

  15. Chirkov, Y.G. and Rostokin, V.I., Russ. J. Electrochem., 2014, vol. 50, p. 208.

    Article  CAS  Google Scholar 

  16. Zamalin, V.M., Norman, G.E., and Filinov, V.S., Metod Monte-Karlo v statisticheskoi termodinamike (Monte Carlo Method in Statistical Thermodynamics), Moscow: Nauka, 1977.

    Google Scholar 

  17. Shevkunov, S.V., Colloid J., 2014, vol. 76, p. 490.

    Article  CAS  Google Scholar 

  18. Shevkunov, S.V., Russ. J. Electrochem., 2014, vol. 50, p. 1118.

    Article  CAS  Google Scholar 

  19. Shevkunov, S.V., Russ. J. Electrochem., 2014, vol. 50, p. 1127.

    Article  CAS  Google Scholar 

  20. Shevkunov, S.V., Russ. J. Phys. Chem. A, 2014, vol. 88, p. 1744.

    Article  CAS  Google Scholar 

  21. Shevkunov, S.V., Russ. J. Phys. Chem. A, 2014, vol. 88, p. 2165.

    Article  CAS  Google Scholar 

  22. Shevkunov, S.V., Russ. J. Electrochem., 2016, vol. 52 (in press).

    Google Scholar 

  23. Shevkunov, S.V., Colloid J., 2010, vol. 72, p. 93.

    Article  CAS  Google Scholar 

  24. Shevkunov, S.V., Russ. J. Electrochem, 2013, vol. 49, p. 228.

    Article  CAS  Google Scholar 

  25. Shevkunov, S.V., Russ. J. Electrochem, 2013, vol. 49, p. 266.

    Google Scholar 

  26. Shevkunov, S.V., Colloid J., 2010, vol. 72, p. 107.

    Article  CAS  Google Scholar 

  27. Shevkunov, S.V., Colloid J., 2011, vol. 73, p. 135.

    Article  CAS  Google Scholar 

  28. Shevkunov, S.V., J. Exp. Theor. Phys., 2009, vol. 108, p. 2009.

    Article  Google Scholar 

  29. Shevkunov, S.V., Colloid J., 2005, vol. 67, p. 509.

    Article  CAS  Google Scholar 

  30. Shevkunov, S.V., Russ. J. Phys. Chem., 2004, vol. 78, p. 1590.

    Google Scholar 

  31. Arshadi, M., Yamdagni, R., and Kebarle, P., J. Phys. Chem., 1970, vol. 74, p. 1466.

    Article  Google Scholar 

  32. Olleta, A.C., Lee, H.M., and Kim, K.S., J. Chem. Phys., 2006, vol. 124, p. 024321.

    Article  Google Scholar 

  33. Hiroaka, K., Mizuse, S., and Yamade, S., J. Phys. Chem., 1988, vol. 92, p. 3943.

    Article  Google Scholar 

  34. Shevkunov, S.V., Colloid J., 2011, vol. 73, p. 275.

    Article  CAS  Google Scholar 

  35. Shevkunov, S.V., Colloid J., 2009, vol. 71, p. 406.

    Article  CAS  Google Scholar 

  36. Shevkunov, S.V., Russ. J. Phys. Chem. A, 2011, vol. 85, p. 1584.

    Article  CAS  Google Scholar 

  37. Shevkunov, S.V., Dokl. Phys., 2013, vol. 58, p. 121.

    Article  CAS  Google Scholar 

  38. Shevkunov, S.V., Colloid J., 2013, vol. 75, p. 444.

    Article  CAS  Google Scholar 

  39. Burnham, C.J., Petersen, M.K., Day, T.J.F., Iyengar, S.S., and Voth, G.A., J. Chem. Phys., 2006, vol. 124, p. 024327.

    Article  Google Scholar 

  40. Herce, D.H., Perera, L., Darden, T.A., and Sagui, C., J. Chem. Phys., 2005, vol. 122, p. 024513.

    Article  Google Scholar 

  41. Yoo, S., Lei, Y.A., and Zeng, X.C., J. Chem. Phys., 2003, vol. 119, p. 6083.

    Article  CAS  Google Scholar 

  42. Shevkunov, S.V., Colloid J., 2008, vol. 70, p. 784.

    Article  CAS  Google Scholar 

  43. Shevkunov, S.V., Russ. J. Phys. Chem. A, 2009, vol. 83, p. 972.

    Article  CAS  Google Scholar 

  44. Shevkunov, S.V., High Energy Chem., 2009, vol. 43, p. 341.

    Article  CAS  Google Scholar 

  45. Shevkunov, S.V., High Energy Chem., 2008, vol. 42, p. 205.

    Article  CAS  Google Scholar 

  46. Hill, T.L., Statistical Mechanics: Principles and Selected Applications, Courier Corporation, 1956.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Peter the Great St. Petersburg State Polytechnical University, ul. Politekhnicheskaya 29, 195251, St. Petersburg, Russia

    S. V. Shevkunov

Authors
  1. S. V. Shevkunov
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to S. V. Shevkunov.

Additional information

The paper is dedicated to the memory of academician V.A. Kistyakovskii (1865–1952).

Original Russian Text © S.V. Shevkunov, 2016, published in Elektrokhimiya, 2016, Vol. 52, No. 9, pp. 1022–1032.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Shevkunov, S.V. Structure and electric properties of sodium ion hydrate shell in nanopore with hydrophilic walls. Russ J Electrochem 52, 910–919 (2016). https://doi.org/10.1134/S1023193516090093

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1023193516090093

Keywords

Search

Navigation