Skip to main content
SpringerLink
Log in

Ion pairs in aqueous electrolyte microdrops under conditions of a flat nanopore

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

Abstract

The molecular mechanisms of aqueous solvent penetration into a flat nanopore with hydrophobic structureless walls containing a Na+Cl− ion pair with nonfixed distance between ions is studied by computer simulations. A detailed many-body polycenter model of intermolecular interactions calibrated with respect to experimental data for the free energy of attachment of water vapor molecules and quantum-chemical calculations in clusters is used. The ion pair hydration results in its decomposition. Drawing the molecules into the gap between ions makes easier penetration of solvent and filling of the nanopore with electrolyte. The ion-pair dissociation is accompanied by dramatic changes in the chemical potential of molecules and electric properties of the whole system. The thermodynamic characteristics of decomposition are stable as regards variations in the pore width. The post-decomposition electric polarizability demonstrates strong anisotropy associated with the nanopore flatness.

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

    Article  CAS  Google Scholar 

  2. Verbrugge, M.W. and Liu, P., J. Electrochem. Soc., 2005, vol. 152, p. D79.

    Article  CAS  Google Scholar 

  3. Bower, A.F., Guduru, P.R., and Sethuraman, V.A., J. Mech. Phys. Solids, 2011, vol. 59, p. 804.

    Article  CAS  Google Scholar 

  4. Franco, A.A., Schott, P., Jallut, C., and Maschke, B., Fuel Cells, 2007, vol. 2, p. 99.

    Article  Google Scholar 

  5. Biesheuvel, P.M., Franco, A.A., and Bazant, M.Z., J. Electrochem. Soc., 2009, vol. 156, p. B225.

    Article  CAS  Google Scholar 

  6. Chan, K. and Eikerling, M., J. Electrochem. Soc., 2011, vol. 158, p. B18.

    Article  CAS  Google Scholar 

  7. Yuan, M., Liu, W., Zhu, Y., and Xu, Y., Russ. J. Electrochem., 2014, vol. 50, p. 594.

    Article  CAS  Google Scholar 

  8. Solyanikova, A.S., Chayka, M.Yu., Boryak, A.V., Kravchenko, T.A., Glotov, A.V., Ponomarenko, I.V., and Kirik, S.D., Russ. J. Electrochem., 2014, vol. 50, p. 419.

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

  10. Eikerling, M., Kornyshev, A.A., and Lust E., J. Electrochem. Soc., 2005, vol. 152, p. E24.

    Article  CAS  Google Scholar 

  11. Griffiths, S.K. and Nilson, R.H., J. Electrochem. Soc., 2010, vol. 157, p. A469.

    Article  CAS  Google Scholar 

  12. Robinson, D.B., Max Wu, C.A., and Jacobs, B.W., J. Electrochem. Soc., 2010, vol. 157, p. A912.

    Article  CAS  Google Scholar 

  13. Feng, G., Qiao, R., Huang, J., Sumpter, B.G., and Meunier, V. ACS Nano, 2010, vol. 4, p. 2382.

    Article  CAS  Google Scholar 

  14. Vasil’eva, V.I., Akberova, E.M., Shaposhnik, V.A., and Malykhin, M.D., Russ. J. Electrochem., 2014, vol. 50, p. 789.

    Article  Google Scholar 

  15. Shannon, M.A., Bohn, P.W., Elimelech, M., Georgiadis, J.G., Marinas, B.J., and Mayes, A.M., Nature, 2008, vol. 452, p. 301.

    Article  CAS  Google Scholar 

  16. Biesheuvel, P.M., Limpt, B., and van der Wal, A., J. Phys. Chem. C, 2009, vol. 113, p. 5636.

    Article  CAS  Google Scholar 

  17. Noked, M., Avraham, E., Soffer, A., and Aurbach, D., J. Phys. Chem. C, 2009, vol. 113, p. 21319.

    Article  CAS  Google Scholar 

  18. Biesheuvel, P.M. and van der Wal, A., J. Membr. Sci., 2010, vol. 346, p. 256.

    Article  CAS  Google Scholar 

  19. Li, H., Zou, L., Pan, L., and Sun, Z., Environ. Sci. Technol., 2010, vol. 44, p. 8692.

    Article  CAS  Google Scholar 

  20. Biesheuvel, P.M., Zhao, R., Porada, S., and van der Wal, A., J. Colloid Interface Sci., 2011, vol. 361, p. 239.

    Article  Google Scholar 

  21. Choi, W., Ulissi, Z.W., Shimizu, S.F.E., Bellisario, D.O., Ellison, M.D., and Strano, M.S., Nat. Commun., 2013, vol. 4, p. 2397.

    Google Scholar 

  22. Liu, H., Jameson, C.J., and Murad, S., Mol. Simul., 2008, vol. 34, p. 169.

    Article  CAS  Google Scholar 

  23. Cazade, P.-A., Dweik, J., Coasne, B., Henn, F., and Palmeri, J., J. Phys. Chem. C., 2010, vol.,14, p. 12245.

    Article  Google Scholar 

  24. Meng, L., Li, Q., and Shuai, Zh., J. Chem. Phys., 2008, vol. 128, p. 134703.

    Article  Google Scholar 

  25. Hou, Ch.H., Taboada-Serrano, P., Yiacoumi, S., and Tsouris, C., J. Chem. Phys., 2008, vol. 129, p. 224703.

    Article  Google Scholar 

  26. Chandler, D., Nature, 2005, vol. 437, p. 640.

    Article  CAS  Google Scholar 

  27. Hou, Ch.-H., Taboada-Serrano, P., Yiacoumi, S., and Tsouris, C., J. Chem. Phys., 2008, vol. 128, p. 044705.

    Article  Google Scholar 

  28. Cazade, P.-A., Hartkamp, R., and Coasne, B., J. Phys. Chem. C, 2014, vol. 118, p. 5061.

    Article  CAS  Google Scholar 

  29. Shevkunov, S.V., J. Exp. Theor. Phys., 2009, vol. 108, p. 447.

    Article  CAS  Google Scholar 

  30. Hill, T.L., Statistical Mechanics: Principles and Selected Applications, New York: McGraw-Hill, 1956 (translated into Russian).

    Google Scholar 

  31. Perera, L. and Berkowitz, M.L., J. Chem. Phys., 1991, vol. 95, p. 1954.

    Article  CAS  Google Scholar 

  32. Caldwell, J.W. and Kollman, P.A., J. Am. Chem. Soc., 1995, vol. 117, p. 4177.

    Article  CAS  Google Scholar 

  33. Dang, L.X., J. Phys. Chem., 1998, vol. 102, p. 620.

    Article  CAS  Google Scholar 

  34. Herce, D.H., Perera, L., Darden, T.A., and Sagui, C.J., Chem. Phys., 2005, vol. 122, p. 24513.

    Google Scholar 

  35. Chang, T.M. and Dang L.X., Chem. Rev., 2005, vol. 106, p. 1305.

    Article  Google Scholar 

  36. Horinek, D. and Netz, R.R., Phys. Rev. Lett., 2007, vol. 99, p. 226104.

    Article  Google Scholar 

  37. Dweik, J., Coasne, B., Palmeri, J., Jouanna, P., and Gouze, P., J. Phys. Chem. C, 2012, vol. 116, p. 726.

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

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

    Article  Google Scholar 

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

    Article  Google Scholar 

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

    Article  Google Scholar 

  43. Radtsig, A.A. and Smirnov, B.M., Spravochnik po atomnoi i molekulyarnoi fizike (Handbook on Atomic and Molecular Physics, Moscow: Atomizdat, 1980.

    Google Scholar 

  44. Shevkunov, S.V., Colloid. Zh., 1983, vol. 45, p. 1019.

    Google Scholar 

  45. Shevkunov, S.V., Lukyanov, S.I., Leyssale, J.-M., and Millot, Cl., Chem. Phys., 2005, vol. 310, p. 97.

    Article  CAS  Google Scholar 

  46. Shevkunov, S.V., J. Exp. Theor. Phys., 2009, vol. 108, p. 447.

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

  48. Lukyanov, S.I., Zidi, Z.S., and Shevkunov, S.V., Chem. Phys., 2007, vol. 332, p. 188.

    Article  CAS  Google Scholar 

  49. Lukyanov, S.I., Zidi, Z.S., and Shevkunov, S.V., Fluid Phase Equilib., 2005, vol. 233, p. 34.

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

  52. Shevkunov, S.V., Russ. J. Electrochem., 2002, vol. 38, p. 300.

    Article  CAS  Google Scholar 

  53. Shevkunov, S.V., JETP Lett., 2002, vol. 76, p. 700.

    Article  CAS  Google Scholar 

  54. Shevkunov, S.V., Colloid J., 2004, vol. 66, p. 230.

    Article  CAS  Google Scholar 

  55. Shevkunov, S.V., Colloid J., 2004, vol. 66, p. 495.

    Article  CAS  Google Scholar 

  56. Shevkunov, S.V., Colloid J., 2004, vol. 66, p. 506.

    Article  CAS  Google Scholar 

  57. Shevkunov, S.V., High Energy Chem., 2005, vol. 39, p. 351.

    Article  CAS  Google Scholar 

  58. Shevkunov, S.V., Russ. J. Gen. Chem., 2008, vol. 78, p. 355.

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

  60. Shevkunov, S.V., Colloid J., 2008, vol. 70, p. 646.

    Article  CAS  Google Scholar 

  61. Shevkunov, S.V., Russ. J. Phys. Chem. A, 2008, vol. 82, p. 1878.

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

  64. Shevkunov, S.V., Russ. J. Electrochem., 2013, vol. 49, p. 238.

    Article  CAS  Google Scholar 

  65. Shevkunov, S.V., Comput. Math. Math. Phys., 2005, vol. 45, p. 2196.

    Google Scholar 

  66. Berkowitz, M., Karim, O.A., McCammon, J.A., and Rossky, A.P., Chem. Phys. Lett., 1984, vol. 105, p. 577.

    Article  CAS  Google Scholar 

  67. Shevkunov, S.V., Colloid J., 2016, vol. 78, p. 137.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Peter-the-Great St. Petersburg Polytechnic University, St. Petersburg, 195251, 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

Original Russian Text © S.V. Shevkunov, 2016, published in Elektrokhimiya, 2016, Vol. 52, No. 11, pp. 1193–1205.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Shevkunov, S.V. Ion pairs in aqueous electrolyte microdrops under conditions of a flat nanopore. Russ J Electrochem 52, 1064–1075 (2016). https://doi.org/10.1134/S1023193516110112

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1023193516110112

Keywords

Search

Navigation