Dai Xiaobin, Hou Cuiling, Xu Ziyang, Yang Ye, Zhu Guolong, Chen Pengyu, Huang Zihan, Yan Li-Tang
State Key Laboratory of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
Entropy (Basel). 2019 Feb 15;21(2):186. doi: 10.3390/e21020186.
Polymer nanocomposite materials, consisting of a polymer matrix embedded with nanoscale fillers or additives that reinforce the inherent properties of the matrix polymer, play a key role in many industrial applications. Understanding of the relation between thermodynamic interactions and macroscopic morphologies of the composites allow for the optimization of design and mechanical processing. This review article summarizes the recent advancement in various aspects of entropic effects in polymer nanocomposites, and highlights molecular methods used to perform numerical simulations, morphologies and phase behaviors of polymer matrices and fillers, and characteristic parameters that significantly correlate with entropic interactions in polymer nanocomposites. Experimental findings and insight obtained from theories and simulations are combined to understand how the entropic effects are turned into effective interparticle interactions that can be harnessed for tailoring nanostructures of polymer nanocomposites.
聚合物纳米复合材料由嵌入纳米级填料或添加剂的聚合物基体组成,这些填料或添加剂增强了基体聚合物的固有性能,在许多工业应用中发挥着关键作用。了解复合材料的热力学相互作用与宏观形态之间的关系有助于优化设计和机械加工。本文综述总结了聚合物纳米复合材料熵效应各方面的最新进展,并重点介绍了用于进行数值模拟的分子方法、聚合物基体和填料的形态及相行为,以及与聚合物纳米复合材料熵相互作用显著相关的特征参数。结合实验结果以及从理论和模拟中获得的见解,以了解熵效应如何转化为有效的粒子间相互作用,从而用于定制聚合物纳米复合材料的纳米结构。