THE INFLUENCE OF IMPURITIES ON THE NUMBER OF HYDROGEN BONDS


  • A.A. Avramenko Institute of Engineering Thermophysics of National Academy of Sciences of Ukraine, 2a, Zhelyabova str., Kiev, 03057, Ukraine
  • A.I. Tyrinon Institute of Engineering Thermophysics of National Academy of Sciences of Ukraine, 2a, Zhelyabova str., Kiev, 03057, Ukraine
  • N.P. Dmitrenko Institute of Engineering Thermophysics of National Academy of Sciences of Ukraine, 2a, Zhelyabova str., Kiev, 03057, Ukraine
  • A.V. Kravchuk Institute of Engineering Thermophysics of National Academy of Sciences of Ukraine, 2a, Zhelyabova str., Kiev, 03057, Ukraine
Keywords: computer simulation, molecular dynamics, hydrogen bond, impurity ions, molecules.

Abstract

The effect of various amounts of ions Cl-, Na+, and Na++Cl- on the quantity of the hydrogen bonds in aqueous solution is investigated. The effect of time on the hydrogen bonds in aqueous solutions with impurity ions is analyzed.

References

1. Akhmetov N.S. General Inorganic Chemistry: Textbook for Universities / N.S. Akhmetov. – M.: Higher School, 1981. – 679 p.

2. Kazitsina L.A., Kupletskaya N.B. Application of UV, IR, and NMR – Spectrograph in organic chemistry / L.A. Kazitsina, NB Kupletskaya. – M .: Ed. Executive. School, 1971 –264 p.

3. Otto M. Modern methods of analytical chemistry / M. Otto. – M .: Technosphere, 2008 – 544 p.

4. Quirke N. Adsorption and transport at the nanoscalle / N. Quirke. – London –New York: Boca Raton, 2006. – 189 p.

5. MacElroy J.M.D. Nonequilibrium molecular dynamics simulation of diffusion and flow in thin microporous membranes // Journal of chemical physics. – 1994. – V. l01, N 6. – P. 5274-5280.

6. Frenkel D., Smit B. Understanding molecular simulation / D.Frenkel, B.Smit. – London: Academic Press, 1996. – 443 p.

7. Rapaport D.C. The art of molecular dynamics simulation / D.C. Rapaport. – London: Cambridge University Press, – 1996. – 400 p.

8. Tovbin J.K. The method of molecular dynamics in physical chemistry / J.K. Tovbin – M.: Nauka, – 1996. – 334 p.

9. Chandra A. Structure and dynamics of hydrogen bonds in liquid water and aqueous solutions // Proc. Indian Nat. Sci. Akad. – 2003. – N 1. – pp. 49–59.

10. Bondarenko G.V., Gorbaty Yu. E., Okhulkov A.V. Structure and hydrogen bonding in liquid and supercritical aqueous NaCl solutions at pressure 1000 bar and temperature up to 500 °C: a comprehensive experimental ana computational study // J. Chem. Phys. – 2006. – V. 110. – pp. 4042–4052.

11. Alder, B. J., and Wainwright, T. E. Phase transition for hard sphere system // J. Chem. Phys. – 1957. – V. 2. – pp. 1208–1209.

12. Alder, B. J., and Wainwright, T. E. Studies in molecular dynamics. I. General method // J. Chem. Phys. – 1959. – V. 31. – pp.459–466

13. Verlet L. Computer experiments on classical fluids. Thermodynamic properties of Lenerd-Jons molecules// Phys. Rev. –1967. – V. 159. – P. 98–103.

14. Allen M.P., Tildesley D.J. Computer Simulation of Liquids / M.P Allen, D.J. Tildesley – Oxford: Clarendon Press, – 1988. – 387 р.

15. Frenkel D., Smit B. Understanding Molecular Simulation: From Algorithms to Applications / D. Frenkel, B. Smit – San Diego: Academic Press, – 2002. – 638 р.

16. Heo S.J., Sinnott S.B., Brenner D.N., Harrison J.A. Nanotribology and nanomechanics / S.J. Heo, S.B. Sinnott, D.N. Brenner, J.A. Harrison – Berlin: Springer, – 2005. – 621 p.

Abstract views: 57
PDF Downloads: 55
Published
2016-02-21
How to Cite
Avramenko, A., Tyrinon, A., Dmitrenko, N., & Kravchuk, A. (2016). THE INFLUENCE OF IMPURITIES ON THE NUMBER OF HYDROGEN BONDS. Thermophysics and Thermal Power Engineering, 38(2), 20-25. https://doi.org/https://doi.org/10.31472/ihe.2.2016.02
Section
Heat and Mass Exchange Processes