期刊
MOLECULAR SIMULATION
卷 46, 期 9, 页码 678-688出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/08927022.2019.1587760
关键词
Monte Carlo simulations; crystallisation; grafted polymers
Crystallisation of polymer chains grafted onto a nanoparticle and the effects of grafting density and polymer-nanoparticle interaction were investigated by Monte Carlo simulations. The increase of grafting density leads to the improvements of nucleation ability and the increase in both melting point and final crystallinity. Moreover, the increase of interfacial interaction can lead to the changes of nucleation mode from homogenous nucleation to heterogeneous nucleation, accelerating the nucleation process. To explain the increase of melting point induced by grafting, a prediction of theoretical formula is established, which indicates that the melting point is related to the deformation and concentration of grafted polymer chains. Our findings develop a thermodynamic background for the crystallisation of grafted polymer systems and explain the corresponding experimental results, which has a certain guiding implication for the design, preparation and application of polymer nanocomposites.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据