Hermansen Christian, Mauro John C, Yue Yuanzheng
Section of Chemistry, Aalborg University, Fredrik Bajers Vej 7H, 9220 Aalborg, Denmark.
Science and Technology Division, Corning Incorporated, Corning, New York 14831, USA.
J Chem Phys. 2015 Mar 14;142(10):107104. doi: 10.1063/1.4913761.
In our recent paper [C. Hermansen, J. C. Mauro, and Y.-Z. Yue, J. Chem. Phys. 140, 154501 (2014)], we applied temperature-dependent constraint theory to model the glass transition temperature (Tg) and liquid fragility index (m) of alkali phosphate glasses. Sidebottom commented on this paper concerning the m values obtained by differential scanning calorimetry (DSC) [D. L. Sidebottom, J. Chem. Phys. 142, ⬛ (2015)]. We have considered Sidebottom's comments carefully and conclude that the m values of phosphate liquids obtained by DSC are reliable, except for the NaPO3 and possibly P2O5 compositions. Based on his dynamic light scattering measurements, Sidebottom has found that P2O5 is a strong liquid with m ≈ 20. However, based on the heat capacity jump at Tg and the stretching exponent of the relaxation function, P2O5 should be classified as an intermediate fragile liquid with m ≈ 40. We also argue that m cannot be universally related to the average connectivity of the network and point out several inconsistencies with this view.
在我们最近的论文[C. 赫尔曼森、J. C. 毛罗和Y.-Z. 岳，《化学物理杂志》140, 154501 (2014)]中，我们应用了温度依赖约束理论来模拟碱金属磷酸盐玻璃的玻璃化转变温度（Tg）和液体脆性指数（m）。西底对这篇论文发表了评论，内容涉及通过差示扫描量热法（DSC）获得的m值[D. L. 西底，《化学物理杂志》142, ⬛ (2015)]。我们仔细考虑了西底的评论，并得出结论：除了NaPO3以及可能的P2O5成分外，通过DSC获得的磷酸盐液体的m值是可靠的。基于他的动态光散射测量，西底发现P2O5是一种强液体，m ≈ 20。然而，基于Tg处的热容跃变以及弛豫函数的拉伸指数，P2O5应归类为m ≈ 40的中间脆性液体。我们还认为m不能普遍地与网络的平均连通性相关，并指出了与该观点的几个不一致之处。
