Zhao Lei, Li Yi-Gui, Zhong Chongli, Mi Jianguo
Department of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China.
J Chem Phys. 2006 Apr 14;124(14):144913. doi: 10.1063/1.2187489.
The polymer reference interaction site model from integral equation theory is used to investigate the structure and effective interactions in polymer nanocomposite melts where strong nanoparticle-monomer interactions are principally considered in this work. For finite particle volume fraction, the compromise for the interference between polymers and nanoparticles results in an optimum particle volume fraction for nanoparticle dispersion in polymer melts. At constant particle volume fraction, the effects of degree of polymerization become insignificant when it reaches a threshold value, below which quantitative effects on the organization states of polymer nanocomposite melts are found and help nanoparticles to well disperse in polymer. The aggregation of large nanoparticles decreases with the increase of the nanoparticle-monomer attraction strength. These observations may provide useful information for the development of new polymer materials.
基于积分方程理论的聚合物参考相互作用位点模型，用于研究聚合物纳米复合熔体中的结构和有效相互作用，本研究主要考虑了强纳米颗粒 - 单体相互作用。对于有限的颗粒体积分数，聚合物与纳米颗粒之间干扰的折衷导致了纳米颗粒在聚合物熔体中分散的最佳颗粒体积分数。在恒定颗粒体积分数下，当聚合度达到阈值时，其影响变得微不足道，低于该阈值时，可发现对聚合物纳米复合熔体组织状态的定量影响，并有助于纳米颗粒在聚合物中良好分散。大尺寸纳米颗粒的聚集随着纳米颗粒 - 单体吸引强度的增加而减少。这些观察结果可能为新型聚合物材料的开发提供有用信息。
