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Influences of Structure Disorder and Temperature on Properties of Proton Conductivity in Hydrogen-Bond Molecular Systems

机译:结构无序和温度对氢键分子系统中质子电导率性质的影响

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摘要

沿着结合氢的分子的系统的质子电导率的动态性质,例如冰晶,与结构混乱或抑制并且暴露在的有限温度一外部地适用电场被 Runge-Kutta 方法数字地在我们的 soliton 模型学习了。获得的结果证明 proton-soliton 在群众和热不安的顺序对包括力常数和混乱的变化的结构混乱是很柔韧的并且媒介抑制,它的传导性的速度与增加增加外部地适用媒介,而是 proton-soliton 的抑制系数电场、减少为力常数和抑制系数的相当大的变化分散。在数字模拟,我们发现在咕噜咕噜叫的 proton-soliton isthermally 在在抑制并且外部地的影响下面的 273 K 使用了的 T ≤的温度的一个大区域为马厩建模在冰晶电场。这证明我们的 tnodel 对冰可得到、适当。
机译:The dynamic properties of proton conductivity along hydrogen-bonded molecular systems,for example,ice crystal,with structure disorder or damping and finite temperatures exposed in an externally applied electric-field have been numerically studied by Runge-Kutta way in our Soliton model.The results obtained show that the proton-soliton is very robust against the structure disorder including the fluctuation of the force constant and disorder in the sequence of masses and thermal perturbation and damping of medium,the velocity of its conductivity increases with increasing of the externally applied electric-field and decreasing of the damping coefficient of medium,but the proton-soliton disperses for quite great fluctuation of the force constant and damping coefficient.In the numerical simulation we find that the proton-soliton in our model is thermally stable in a large region of temperature of T ≤ 273 K under influences of damping and externally applied electric-field in ice crystal.This shows that our model is available and appropriate to ice.

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