Research PapersNo Access

PROTON CONDUCTIVITY AND THERMODYNAMIC FEATURES IN THE HYDROGEN-BONDED MOLECULAR SYSTEMS

Institute of Life Science and Technology, University of Electronic Science and Technology of China, Chengdu 610054, P. R. China

International Centre for Material Physics, Chinese Academy of Sciences, Shenyang 110015, P. R. China

Search for more papers by this author

HUAI-WU ZHANG

College of Microelectronics and Solid-State Electronics, University of Electronic Science and Technology of China, Chengdu 610054, P. R. China

Search for more papers by this author

, and

JUN ZN

College of Physical Science and Technology, Sichuan University, Chengdu 610065, P. R. China

Search for more papers by this author

https://doi.org/10.1142/S0217979205032267Cited by:11 (Source: Crossref)

Abstract

The proton conductivity and thermodynamic features, arising from motions of the ionic and bonded defects, in hydrogen-bonded molecular systems have been investigated by the quantum-mechanical method and the transfer integral way in our model, in which the collective effect and the mutual correlation between the protonic and heavy ionic sublattices are specially considered. We first derived the equations of motion and its soliton solutions from the model Hamiltonian. The results obtained show that this model can simultaneously support motions of the ionic and bonded defects which are due to competition of the double-well potential and non-linearly coupled interaction between the protons and heavy ions. Thus we find out the mobility of the kink-antikink pair and electrical-conductivity of the proton transfer in the hydrogen-bonded systems exposed in an externally applied electrical-field through the dynamic equation of the kink-antikink pair and its solution in this model. For ice, the mobility and electrical conductivity of the proton transfer obtained are about (6.5 - 6.9)×10^-6m²/V · s and (7.6 - 8.1)×10^-3(Ω · m)^-1, respectively, which are in the domain of semiconductors and are basically consistent with experimental values for the crystal. Finally we calculate the free energy and specific heat of the systems with finite temperature by the model Hamiltonian and transfer integral way. The specific heat is also consistent with experimental data. This is a very interesting result.

Keywords:

PACS: 66.30.Dn, 03.65.-W, 33.20.Kf

You currently do not have access to the full text article.
Recommend the journal to your library today!

References

L. Onsager, Science 166, 1359 (1969); ibid. 156, 541 (1967); N. Bjerrum, ibid. 115, 385 (1952); V. H. Schmidt, J. E. Drumeheller and F. L. Howell, Phys. Rev. B 4, 4582 (1971); A. Kawada, A. R. McGhie and M. M. Labes, J. Chem. Phys. 52, 3121 (1970); G. Zundel, Hydration and Intermolecular Interaction (Mir. Press, Moscow, 1972), p. 1; P. Schuster, G. Zundel and C. Sandorfy (eds.), The Hydrogen Bond, Recent Developments in Theory and Experiments (North Holland, Amsterdam, 1976) . Google Scholar
W. C. Homilton and J. A. Ibers, Hydrogen Bonding in Solids (Benjamin, New York, 1969); R. P. Bell, The Proton in Chemistry (Chapman and Hall, London, 1973); G. Pimentel and A. McClellan, The Hydrogen Bond (Freeman, San Francisco, 1960) . Google Scholar
D. Eisenberg and W. Kanzmann, The Structure and Properties of Water (Oxford University Press, Oxford, 1969); M. Eigen, L. de Maeyer and H. C. Spatz, Coll. Physics of Ice Crystals (1962) . Google Scholar
E. Whalley, S. J. Jones and L. W. Grold, Physics and Chemistry of Ice (Royal Society of Canada, Ottawa, 1973); J. H. Weiner and A. Asker, Nature 226, 842 (1970); R. J. Nelmes, Ferroelectrics 24, 237 (1980); H. Granicher, Phys. Kond. Materiel 1, 1 (1963) . Google Scholar
L. Pauling, The Nature of Chemical Bond (Cornell University Ithaca, 1960); T. Bontis, Proton Transfers in Hydrogen Bonded Systems (Plenum Press, London, 1992) . Google Scholar
V. Ya. Antonchenko, A. S. Davydov and A. V. Zolotariuk, Phys. Stat. Sol. B 115, 631 (1983). Crossref, Google Scholar
A. V. Zolotaryuk, R. H. Spatschek and L. E. W. Ladre, Phys. Lett. A 101, 517 (1984); E. W. Laedke, K. H. Spatschek, M. Wlkens and A. V. Zolotaryuk, Phys. Rev. A 20, 1161 (1985) . Google Scholar
A. S. Davydov, Solitons in Molecular Systems (Kluwer, Dordrocht, 1990) p. 227. Google Scholar
T. Fraggs, St. Pnevmatikos and E. N. Economon, Phys. Lett. A 142, 361 (1989). Crossref, Web of Science, ADS, Google Scholar
M. Peyrared, St. Pnevmatikos and N. Flytzanis, Phys. Rev. A 36, 903 (1987); H. Weberpals and R. H. Spatschek, ibid. 36, 2946 (1987); J. Halding and P. S. Lomdahl, ibid. 37, 2608 (1988); R. Mittal and I. A. Howard, Physica D 125, 179 (1999) . Google Scholar
D. Hochstrasser, H. Buttner, H. Desfontaines and M. Peyrared, Phys. Rev. A 38, 5332 (1988); H. Desfontaines and M. Peyrared, Phys. Lett. A 142, 128 (1989) . Google Scholar
St. Pnevmatikos, Phys. Rev. Lett. 60, 1534 (1988); Phys. Lett. A 112, 249 (1987); J. M. Braum and Yu. S. Kivshar, ibid. 149, 119 (1990); Phys. Rev. B 43, 1060 (1991); St. Pnevmatikos, N. Flytzanis and A. R. Bishop, J. Phys. C. Solid State Phys. 20, 2829 (1987) . Google Scholar
J. F. Nagle and S. T. Nagle, J. Membr. Biol. 74, 1 (1983); J. F. Nagle and H. J. Morowitz, Proc. Natl. Acad. Sci. USA 75, 298 (1976); J. F. Nagle, M. Mille and H. J. Morowitz, J. Chem. Phys. 72, 3959 (1980) . Google Scholar
A. V. Zolotaryuk and St. Pnevmatikos, Phys. Lett. A 143, 233 (1990); Yu. S. Kivshar, Phys. Rev. A 43, 3117 (1991); A. V. Zolotaryuk, M. Peyrard and K. H. Spatschek, Phys. Rev. E 62, 5706 (2000) . Google Scholar
St. Pnermatikos, A. V. Savin, A. V. Zolotaryuk, Yu. S. Kivshar and M. J. Velgakis, Phys. Rev. A 43, 5518 (1991); St. Pnevmatikos, Yu. S. Kivshar, M. J. Valgakis and A. V. Zolotariuk, Phys. Lett. A 173, 43 (1993); I. Chochliouros and J. Pouget, J. Phys. Condensed Matter 7, 8741 (1995); G. P. Tsironis and St. Pnevmatikos, Phys. Rev. B 39, 7161 (1989) . Google Scholar
E. S. Kryachko, Solid Stat. Commun. 65, 1609 (1988); Yu. S. Kivshar and B. A. Malomed, Rev. Mod. Phys. 61, 793 (1989) . Google Scholar
Y. P. Mei, J. R. Yan, X. H. Yan and J. Q. You, Phys. Rev. B 48, 575 (1993); Y. P. Mei and J. R. Yan, Phys. Lett. A 180, 259 (1993) . Google Scholar
X.-F. Pang and H. J. W. Muller-Kirsten, J. Phys. Condensed Matter 12, 885 (2000); X. F. Pang and G. Zundel, Acta of Phys. Sin. 46 (4), 625 (1997) and 7 (1), 70 (1998); X. F. Pang, Chinese Phys. 9 (2), 86 (2000); Phys. Lett. A330, 245 (2004) and Theory for Non-Linear Quantum Mechanics (Chinese Chongqing Press, Chongqing, 1994), pp. 427 and 795; J. Shandong Normal Univ. Sin. (Nature) 15, 43 (2000); X. L. Yan and X. F. Pang, Commun. Theor. Phys. 32, 971 (2000); Prog. Phys. Sin 22, 234 (2002); X. F. Pang and Y. P. Feng, Quantum Mechanics in Nonlinear Systems (World Scientific, Singapore, 2005), p. 587; Chem. Phys. Lett. 373, 392 (2003) . Google Scholar
C. P. Flynn and A. M. Stoneham, Phys. Rev. B 1, 3966 (1970). Crossref, Web of Science, ADS, Google Scholar
X. F. Pang, J. Phys. Condensed. Matter 2, 9541 (1990); European Phys. J. B 10, 415 (1999) and 19, 291 (2001); Phys. Rev. E 49, 4747 (1994) and E62, 6989 (2000); Physica D, 138 (2001); Acta Math. Sciences 13, 437 (1993); Chinese Phys. Lett. 10, 381 and 437 and 517 (1993); Chinese Science Bulletin 38, 1557 and 1665 (1993); Acta Physica Slovak 46, 89 (1998); J. Low. Temp. Phys. 58, 334 (1985); Soliton Physics (Sichuan Scie. Tech. Press, Chengdu, China, 2002) . Google Scholar
M. Eigen and L. de. Maeyer, Proc. Roy. Soc. A 247, 505 (1958). Crossref, ADS, Google Scholar
J. F. Currieet al., Phys. Rev. B 22, 477 (1980). Crossref, Web of Science, ADS, Google Scholar
G. F. Mazenko and P. S. Sahni, Phys. Rev. B 18, 6139 (1978). Crossref, Web of Science, ADS, Google Scholar
J. A. Krumhansl and J. R. Schrieffer, Phys. Rev. B 11, 3535 (1975). Crossref, Web of Science, ADS, Google Scholar
T. Schneider and E. Stoll, Phys. Rev. B 22, 5317 (1980); Phys. Rev. Lett. 41, 1429 (1978); 35, 296 (1975) . Google Scholar
G. M. Mrevlishvil, USP. Fiz. Nauk 128, 273 (1979); Sov. Phys. USP. 22, 433 (1979) . Google Scholar
V. I. Goldanskill, Yu. F. Krupyanskii and V. N. Flerov, Dokl. Akad. Nauk (SSSR) 272, 978 (1983). Web of Science, Google Scholar
A. N. Oraevskii and M. Yu. Su, Dakov. Zh. EKSP. Teor. Fiz. 92, 1366 (1987); Sov. Phys.: JETP 65, 767 (1987) . Google Scholar
G. Careriet al., Phys. Rev. B 30, 4689 (1984). Crossref, Web of Science, ADS, Google Scholar