THE INFLUENCE OF IMPURITIES ON THE NUMBER OF HYDROGEN BONDS
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
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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.
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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.
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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
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