Das Nilimesh, Sen Pratik
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur - 208 016, UP, India.
Phys Chem Chem Phys. 2021 Jul 28;23(29):15749-15757. doi: 10.1039/d1cp01804c.
The molecular-level structure and dynamics decide the functionality of solvent media. Therefore, a significant amount of effort is being dedicated continually over time in understanding their structural and dynamical features. One intriguing aspect of solvent structure and dynamics is heterogeneity. In these systems, the dynamics follow , where p is the measure of viscosity decoupling. We analytically predicted that in such cases, the Stokes-Einstein relationship is modified to due to microdomain formation, and the second term on the right-hand side leads to viscosity decoupling. We validated our prediction by estimating the p values of a few solvents, and they matched well with the literature. Overall, we believe that our approach gives a simple yet unique physical picture to help us understand the heterogeneity of solvent media.
分子水平的结构和动力学决定了溶剂介质的功能。因此，随着时间的推移，人们不断投入大量精力来了解它们的结构和动力学特征。溶剂结构和动力学的一个有趣方面是不均匀性。在这些系统中，动力学遵循 ，其中p是粘度解耦的度量。我们通过分析预测，在这种情况下，由于微域的形成，斯托克斯-爱因斯坦关系被修改为 ，并且右侧的第二项导致粘度解耦。我们通过估计几种溶剂的p值验证了我们的预测，并且它们与文献中的值匹配良好。总体而言，我们相信我们的方法给出了一个简单而独特的物理图景，以帮助我们理解溶剂介质的不均匀性。
