Direct calculation of the dimerization constant of water molecules for a dense water vapor

TitleDirect calculation of the dimerization constant of water molecules for a dense water vapor
Publication TypeJournal Article
Year of Publication2014
AuthorsBulavin, LA, Makhlaichuk, PV, Khrapatiy, SV
Organization
I. I. Mechnikov Odessa National University
Abbreviated Key TitleDopov. Nac. akad. nauk Ukr.
DOI10.15407/dopovidi2014.11.066
Issue11
SectionPhysics
Pagination66-71
Date Published11/2014
LanguageUkrainian
Abstract

The dimerization constant for a dense water vapor is determined from the direct calculation of the internal statistical sums of monomers and dimers. The obtained results are compared to the experimental data and the results of calculations that are based on the relation between the dimerization constant and the second virial coefficient.
Keywordsdimerization, water molecule, water vapor
References: 

1. Curtiss L. A., Frurip D. J., Blander M. J. J. Chem. Phys., 1979, 71: 2703. https://doi.org/10.1063/1.438628
2. Goldman N., Fellers R. S., Leforestier C., Saykally R. J. J. Phys. Chem. A., 2001, 105: 515. https://doi.org/10.1021/jp003567a
3. Goldman N., Leforestier C., Saykally R. J. J. Phys. Chem. A., 2004, 108: 787. https://doi.org/10.1021/jp035360y
4. Landau L. D., Livshyts E. M. Statistical physics. Pt. 1, Moscow: Nauka, 1976 (in Russian).
5. Vigasin A. A. Infrared Phys., 1991, 32: 461–470. https://doi.org/10.1016/0020-0891(91)90135-3
6. Makhlaichuk P. V., Malomuzh M. P., Zhyganiuk I. V. Ukr. J. Phys., 2013, 58, No 3: 278–288. https://doi.org/10.15407/ujpe58.03.0278
7. Makhlaichuk P., Malomuzh M., Zhyganiuk I. Ukr. J. Phys., 2012, 57, No 2, 113–117.
8. Barnes P. Progress in Liquid Physics, 1978: 391–428.
9. Berendsen H. C., van der Velde G. A. Report of Workshop on Molecular Dynamics and Monte Carlo Calculations on Water. In: Molecular Dynamics on 216 Polarisable Water Molecules. In CECAM, 1972: 29–39.
10. Makhlaichuk P. V., Moroz K. O. Visn. Kyiv. Univ. Ser. Fiz.-mat. nauky, 2012, No 4: 289–294 (in Ukrainian).
11. Scribano Y., Goldman N., Saykally R. J. et al. J. Phys. Chem. A., 2006, 110: 5411–5419. https://doi.org/10.1021/jp056759k
12. Harvey A. H., Lemmon E. W. J. Phys. Chem. Ref. Data, 2004, 33: 369. https://doi.org/10.1063/1.1587731
13. Malomuzh N. P., Makhlaichuk V. N., Khrapatyi S. V. Zhurn. fiz. khim., 2014, 88, No 8: 1108–1113 (in Russian).
14. Vigasin A. A., Pavlyuchko A. I., Jin Y. et al. J. Mol. Struct. 2005, 742: 173–181. https://doi.org/10.1016/j.molstruc.2004.12.060
15. Kraiskii A. V., Mel’nik N. N. Bull. Lebedev Phys. Inst., 2005, 32, No 12: 21.