Abstract
Coadsorption of ozone molecules and nitrate ions by water clusters was studied by the molecular dynamics technique. The maximum value of an average O-H…O bond length in a water carcass is realized at the minimum specific number of such bonds when the ratio of adsorbed ozone molecules to nitrate ions captured by a cluster is two. IR absorption and reflection spectra were reshaped significantly, and new peaks appeared at Raman spectra due to the addition of ozone and nitrate ions to the disperse water system. After ozone and nitrate ions were captured, the average (in frequency) IR reflection coefficient of the water disperse system increased drastically and the absorption coefficient fell.
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Golobokova, L.P., Latysheva, I.V., Mordvinov, V.I., Khodzher, T.V., Obolkin, V.A., and Potemkin, V.L., Atmos. Oceanic Opt., 2005, vol. 18, no. 8, p. 616.
Foster, K.L., Plastridge, R.A., Bottenheim, J.W., Shepson, P.B., Finlayson-Pitts, B.J., and Spicer, C.W., Science (London), 2001, vol. 291, p. 471.
Salvador, P., Curtis, J.E., Tobias, D.J., and Jungwirth, P., Phys. Chem. Chem. Phys., 2003, vol. 5, p. 3752.
Galashev, A.E., High Temp., 2010, vol. 48, no. 4, p. 518.
Galashev, A.E., Rakhmanova, O.R., and Novruzova, O.A., High Temp., 2011, vol. 49, no. 2, p. 193.
Novruzova, O.A. and Galashev, A.E., High Temp., 2008, vol. 46, no. 1, p. 60.
Galashev, A.E., Rakhmanova, O.R., and Chukanov, V.N., High Temp., 2009, vol. 47, no. 3, p. 342.
Galashev, A.E. and Rakhmanova, O.R., Russ. J. Phys. Chem. A, 2010, vol. 84, no. 8, p. 1364.
Galashev, A.Y., Int. J. Energy, Environ. Econ., 2010, vol. 19, no. 6, p. 121.
Dang, L.X. and Chang, T.-M., J. Chem. Phys., 1997, vol. 106, p. 8149.
Dang, L.X., Chang, T.-M., Roeselova, M., Garrett, B.C., and Tobias, D.J., J. Chem. Phys., 2006, vol. 124, p. 066101.
Shem, M., Xie, Y., Schaefer, H.F., and Deakyne, C.A., Chem. Phys., 1991, vol. 151, p. 187.
Hunt, S.W., Roeselová, M., Wang, W., Wingen, L.M., Knipping, E.M., Tobias, D.J., Dabdub, D., and Finlayson-Pitts, B.J., J. Phys. Chem. A, 2004, vol. 108, p. 11559.
Spravochnik khimika (A Chemist’s Handbook), Nikol’skii, B.P., Ed., Leningrad: Khimiya, 1966, vol. 1.
Stillinger, F.H. and David, C.W., J. Chem. Phys., 1978, vol. 69, p. 1473.
Vostrikov, A.A., Dubov, D.Yu., and Drozdov, S.V., Tech. Phys. Lett., 2008, vol. 34, no. 3, p. 221.
Lemberg, H.L. and Stillinger, F.H., J. Chem. Phys., 1975, vol. 62, p. 1677.
Rahman, A., Stillinger, F.H., and Lemberg, H.L., J. Chem. Phys., 1975, vol. 63, p. 5223.
Saint-Martin, H., Hess, B., and Berendsen, H.J.C., J. Chem. Phys., 2004, vol. 120, p. 11133.
Haile, J.M., Molecular Dynamics Simulation: Elementary Methods, New York: Wiley, 1992.
Norman, G.E. and Stegailov, V.V., JETP, 2001, vol. 92, no. 5, p. 879.
Kuksin, A.Y., Morozov, I.V., Norman, G.E., Stegailov, V.V., and Valuev, I.A., Mol. Simul., 2005, vol. 31, p. 1005.
Kraemer, D., Cowan, M.L., Paarmann, A., Huse, N., Nibbering, E.T.J., Elsaesser, T., and Miller, R.J.D., Proc. Natl. Acad. Sci. USA, 2008, vol. 105, p. 437.
Koshlyakov, V.N., Zadachi dinamiki tverdogo tela i prikladnoi teorii giroskopov (Problems in the Dynamics of a Solid Body and the Applied Theory of Gyroscopes), Moscow: Nauka, 1985.
Sonnenschein, R., J. Comput. Phys., 1985, vol. 59, p. 347.
Bresme, F., J. Chem. Phys., 2001, vol. 115, p. 7564.
Neumann, M., J. Chem. Phys., 1985, vol. 82, p. 5663.
Bosma, W.B., Fried, L.E., and Mukamel, S., J. Chem. Phys., 1993, vol. 98, p. 4413.
Huiszoon, C., Mol. Phys., 1986, vol. 58, p. 865.
Landau, L.D. and Lifshitz, E.M., Course of Theoretical Physics, Volume 8: Electrodynamics of Continuous Media, Oxford: Butterworth-Heinemann, 1984.
Goggin, P.L. and Carr, C., in Water and Aqueous Solutions, Neilson, G.W. and Enderby, J.E., Eds., Bristol: Adam Hilger, 1986, vol. 37, p. 149.
Wagner, G., Birk, M., Schreier, F., and Flaud, J.-M., J. Geophys. Res., 2002, vol. 107, p. 22.
Goldman, A., Murcray, F.J., Blatherwick, R.D., Kosters, J.J., Murcray, D.G., Rinsland, C.P., Flaud, J.-M., and Camy-Peyret, C., J. Geophys. Res., 1992, vol. 97, p. 2561.
Rinsland, C.P., Flaud, J.-M., Perrin, A., Birk, M., Wagner, G., Goldman, A., Barbe, A., De Backer-Barilly, M.-R., Mikhailenko, S.N., Tyuterev, Vl.G., Smith, M.A.H., Malathy Devi, V., Benner, D.C., Schreier, F., Chance, K.V., Orphal, J., and Stephen, T.M., J. Quant. Spectrosc. Radiat. Transfer, 2003, vol. 82, p. 207.
Murphy, W.F., J. Chem. Phys., 1977, vol. 67, p. 5877.
Kamboures, M.A., van der Veer, W., Gerber, R.B., and Phillips, L.F., Phys. Chem. Chem. Phys., 2008, vol. 10, p. 4748.
Downing, H.D. and Williams, D., J. Geophys. Res., 1975, vol. 80, p. 1656.
Biermann, U.M., Luo, B.P., and Peter, Th., J. Phys. Chem. A, 2000, vol. 104, p. 783.
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Original Russian Text © A.E. Galashev, 2012, published in Teplofizika Vysokikh Temperatur, 2012, Vol. 50, No. 2, pp. 222–232.
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Galashev, A.E. Molecular dynamics simulation of adsorption of ozone and nitrate ions by water clusters. High Temp 50, 204–213 (2012). https://doi.org/10.1134/S0018151X12010051
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DOI: https://doi.org/10.1134/S0018151X12010051