期刊
POLYMERS
卷 13, 期 14, 页码 -出版社
MDPI
DOI: 10.3390/polym13142296
关键词
polymer brushes; density functional theory; simulation; semiflexible polymers
The Density Functional Theory is employed to investigate structural properties and interactions between solvent-free polymer-grafted nanoparticles, focusing on the effects of grafting density, grafted chain length, and stiffness on brush-brush overlap and attractive interaction strength. The theory results are compared with simulation data, showing good quantitative agreement.
Density Functional Theory is employed to study structural properties and interactions between solvent-free polymer-grafted nanoparticles. Both monodisperse and bidisperse polymer brushes with variable chain stiffness are considered. The three major control parameters are the grafting density, the grafted chain length, and its stiffness. The effect of these parameters on the brush-brush overlap and attractive interaction strength is analyzed. The Density Functional Theory results are compared with the available simulation data, and good quantitative agreement is found.
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