高等学校化学学报2016，Vol.37Issue(6)：1115-1122,8.DOI:10.7503/cjcu20160086
配体链包覆纳米粒子的表面相分离及自组装的模拟研究
Simulation Study of the Phase Separation and Self-assembly of Nanoparticles Coated with Ligands
摘要
Abstract
A simulation study was focused on the phase separation of binary ligands coated on the nanoparticle via the dissipative particle dynamics. After comparing with available simulation and experimental works in literatures, the results support the viewpoint that the driving force comes from the conformational entropy arisen due to a mismatch of ligand chains. A further investigation is conducted on the self-assembly of Janus or triblock Janus nanoparticles in selective solvents. The simulations show that the Janus particles tend to assemble into double-layered vesicle structure, while the triblock Janus particles can form single-layered vesicle structure. This study supplies the theoretical guideline for the design of functional vesicle material via the polymer coated nanoparticles.关键词
纳米粒子/相分离/自组装/耗散粒子动力学/囊泡Key words
Nanoparticles/Phase separation/Self-assembly/Dissipative particle dynamics/Vesicle分类
化学化工引用本文复制引用
徐凡华,衡晓,任建学,周恒为..配体链包覆纳米粒子的表面相分离及自组装的模拟研究[J].高等学校化学学报,2016,37(6):1115-1122,8.基金项目
新疆维吾尔自治区科技创新团队培养建设项目(批准号:2014751001)资助 （批准号:2014751001）
