Theoretical and Experimental Study of Compression Effects on Structural Relaxation of Glass-Forming Liquids
Theoretical and Experimental Study of Compression Effects on Structural Relaxation of Glass-Forming Liquids
复制标题
压缩对玻璃形成液体结构松弛影响的理论与实验研究
DOI：
10.1021/acsomega.0c00860
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发表时间：
2020
期刊：
影响因子：
4.1
通讯作者：
Katsunori Wakabayashi
中科院分区：
文献类型：
--
作者：
Anh D Phan;Agnieszka Jedrzejowska;Marian Paluch;Katsunori Wakabayashi
我们发展了玻璃形成液体的体弛豫的弹性集体非线性朗之万方程理论，以研究压缩条件下的分子迁移率。施加的压力限制了更多的分子运动，因此在增加压力时会显着减慢分子动力学。我们定量确定了结构弛豫时间对温度和压力的依赖性。为了验证我们的模型，在环境压力和高压下对三种刚性和非聚合物超分子进行了介电谱实验。数值结果与实验数据定量吻合。
We develop the elastically collective nonlinear Langevin equation theory of bulk relaxation of glass-forming liquids to investigate molecular mobility under compression conditions. The applied pressure restricts more molecular motion and therefore significantly slows down the molecular dynamics when increasing the pressure. We quantitatively determine the temperature and pressure dependence of the structural relaxation time. To validate our model, dielectric spectroscopy experiments for three rigid and nonpolymeric supramolecules are carried out at ambient and elevated pressures. The numerical results quantitatively agree with experimental data.