Proton conductivity and thermodynamic features in the hydrogen-bonded molecular systems

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	Proton conductivity and thermodynamic features in the hydrogen-bonded molecular systems
	X. F. Pang ; H. W. Zhang ; J. Znu
刊名	International Journal of Modern Physics B
	2005
卷号	19 期号:25 页码:3835-3859
关键词	hydrogen-bonded system proton conductivity quantum theory mobility specific heat structural phase-transitions 2-component solitary waves one-dimensional model statistical-mechanics dynamic properties protein molecules solitons chains transport temperature
ISSN号	0217-9792
中文摘要	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 axe about (6.5 - 6.9) X 10(-6) m(2)/V - s and (7.6 - 8.1) x 10(-3) (Omega (.) 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.
原文出处	://WOS:000233031600004
公开日期	2012-04-14
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/35000]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	X. F. Pang,H. W. Zhang,J. Znu. Proton conductivity and thermodynamic features in the hydrogen-bonded molecular systems[J]. International Journal of Modern Physics B,2005,19(25):3835-3859.
APA	X. F. Pang,H. W. Zhang,&J. Znu.(2005).Proton conductivity and thermodynamic features in the hydrogen-bonded molecular systems.International Journal of Modern Physics B,19(25),3835-3859.
MLA	X. F. Pang,et al."Proton conductivity and thermodynamic features in the hydrogen-bonded molecular systems".International Journal of Modern Physics B 19.25(2005):3835-3859.