论文标题
玻璃形成聚合物流体中的热力动力相互关系
Thermodynamic-Dynamic Interrelations in Glass-Forming Polymer Fluids
论文作者
论文摘要
我们利用聚合物流体的晶格簇理论（LCT）表明，正如Caruthers和Medvedev的最新测量所表明的那样，与Caruthers和Medvedev的最新测量表明，玻璃形成的广义熵理论（GET），玻璃和Adam-gibbs的结合都可以归功于这些属性，这是在这些属性中，这些属性是在模型中，这些都是与这些属性相结合的。热力学缩放是动态和某些热力学特性所表现出的一种密度温度缩放的一种形式，用于评估哪些热力学特性与动力学最自然地链接，我们通过基于GET和分子动力学模拟了粗粒细胞模型的GET和分子动力学模拟，探索了这种直接计算的起源。通过使用LCT对热力学特性的全面建模以及流体热力学如何与其动力学相关的高度预测性GET模型，以及确认这些理论框架的模拟结果，我们可以了解集体运动的热力学方面以及慢速$β$ - $β$ -RELAXATION的玻璃形态液体的热力学方面。
We utilize the lattice cluster theory (LCT) of polymer fluids to show that the configurational entropy, enthalpy, and internal energy are all closely interrelated, as suggested by recent measurements by Caruthers and Medvedev, so that the generalized entropy theory (GET) of glass formation, a combination of the LCT and Adam-Gibbs model, can be recast in terms of any of these thermodynamic properties as a matter of convenience. Thermodynamic scaling, a form of density-temperature scaling exhibited by dynamic and some thermodynamic properties, is used to assess which thermodynamic properties are most naturally linked to dynamics, and we explore the origin of this scaling by both direct calculations based on the GET and molecular dynamics simulations of a coarse-grained polymer model. Through a combination of our comprehensive modeling of thermodynamic properties using the LCT and the highly predictive GET model for how the fluid thermodynamics relate to its dynamics, along with simulation results confirming these theoretical frameworks, we obtain insights into thermodynamic aspects of collective motion and the slow $β$-relaxation processes of glass-forming liquids.
