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Oxyfluoro-zinc-tellurite glasses – Part I: Predicting the elastic properties and glass transition temperature under the substitution of AlF3 by ZnO
Journal of Fluorine Chemistry ( IF 1.7 ) Pub Date : 2018-10-10 , DOI: 10.1016/j.jfluchem.2018.10.008
Amin Abd El-Moneim

An extensive study has been carried out to predict the elastic properties and glass transition temperature of oxyfluoro-zinc-tellurite (10-x)AlF3-xZnO-90TeO2 (1 ≤ x ≤ 9), (30-x)AlF3-xZnO-70TeO2 (5 ≤ x ≤ 25), (35-x)AlF3-xZnO-65TeO2 (10 ≤ x ≤ 30) and (40-x)AlF3-xZnO-60TeO2 (15 ≤ x ≤ 35) glass systems, for the first time. Changes in the elastic moduli, Poisson’s ratio and glass transition temperature due to the substitution of AlF3 by ZnO have been discussed in terms of molar volume, fractal bond connectivity, packing density and dissociation energy per unit volume of the glass. The correlation between theoretically calculated and experimentally measured elastic moduli and Poisson's ratio has also been studied on the basis of Makishima-Mackenzie’s theory and Rocherulle et al. model. The composition dependence of fractal bond connectivity suggested that the studied oxyfluoro-zinc-tellurite glasses have an intermediate dimensionality between three- and two-dimensional structures. Both AlF3 and ZnO are incorporated into the tellurite network as network modifiers. This results is the conversion of TeO4 trigonal bipyramids into TeO3+1 polyhedral and then to TeO3 trigonal pyramids through breaking of TeOTe linkages and creation of non-bridging oxygen atoms. In addition to this, both Makishima-Mackenzie's theory and Rocherulle et al. model appear to be applicable for all the investigated glass systems. The agreement between theoretical and experimental values of elastic moduli and Poisson's ratio is excellent for majority of the samples.



中文翻译:

氟锌锌碲酸盐玻璃–第一部分:预测ZnO替代AlF 3时的弹性和玻璃化转变温度

了广泛的研究已经进行了预测oxyfluoro -锌-碲(10-X)的AlF的弹性性能和玻璃化转变温度3 -xZnO-90TeO 2(1≤X≤9),(30-X)的AlF 3 - xZnO-70TeO 2(5≤x≤25 ),(35-x)AlF 3 -xZnO-65TeO 2(10≤x≤30 )和(40-x)AlF 3 -xZnO-60TeO 2(15≤x≤35 )玻璃系统,这是第一次。AlF 3的取代引起的弹性模量,泊松比和玻璃化转变温度的变化ZnO的摩尔体积,分形键连接性,堆积密度和每单位体积玻璃的离解能已得到讨论。在Makishima-Mackenzie理论和Rocherulle等人的基础上,还研究了理论计算和实验测量的弹性模量与泊松比之间的相关性。模型。分形键连接性的成分依赖性表明,所研究的氧氟锌锌碲酸盐玻璃在三维结构和二维结构之间具有中等尺寸。AlF 3和ZnO均作为网络改性剂掺入到碲酸盐网络中。结果是将TeO 4三角双锥体转化为TeO 3 + 1多面体,然后转化为TeO 3通过断开Te O Te键和创建非桥联氧原子形成三棱锥。除此之外,Makishima-Mackenzie的理论和Rocherulle等人都提出了自己的观点。该模型似乎适用于所有研究的玻璃系统。对于大多数样品,弹性模量的理论值和实验值与泊松比之间的一致性非常好。

更新日期:2018-10-10
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