摘要
The mesoscopic phase of block copolymers PAn-PEG-PAn in aqueous solution was investigated by dissipative particle dynamics(DPD)simulation.The effects of the molar fraction of PAn segment in the copolymers and its concentration on the copolymers’ self-assembling were discussed.The distribution of PEG and PAn segments on the surface of the spherical micelle of the copolymer was interesting but was difficult to observe by experiments.The authors focused on investigating the characteristics of the spherical micelle of the copolymers in a low concentration.There existed two novel core-shell spherical micelles separately with increasing molar fraction of the PAn segment.One was that the PAn segment made up the shell and the PEG segments the core;the other was that the PEG segments made up the shell and the PAn segments the core.A greater part of water was aggregated to form cylindrical and spherical micelles,while the remaining was distributed in the block copolymers symmetrically when the mass fraction of the copolymers was more than 66.7%.DPD simulation could be considered as an assistant for the experimental research and could provide useful information which is difficult to obtain by experiments.
The mesoscopic phase of block copolymers PAn-PEG-PAn in aqueous solution was investigated by dissipative particle dynamics （DPD） simulation. The effects of the molar fraction of PAn segment in the copolymers and its concentration on the copolymers ＇ self-assembling were discussed. The distribution of PEG and PAn segments on the surface of the spherical micelle of the copolymer was interesting but was difficult to observe by experiments. The authors focused on investigating the characteristics of the spherical micelle of the copolymers in a low concentration. There existed two novel core-shell spherical micelles separately with increasing molar fraction of the PAn segment. One was that the PAn segment made up the shell and the PEG segments the core; the other was that the PEG segments made up the shell and the PAn segments the core. A greater part of water was aggregated to form cylindrical and spherical micelles, while the remaining was distributed in the block copolymers symmetrically when the mass fraction of the copolymers was more than 66.7%. DPD simulation could be considered as an assistant for the experimental research and could provide useful information which is difficult to obtain by experiments.
出处
《化工学报》
EI
CAS
CSCD
北大核心
2007年第11期2948-2952,共5页
CIESC Journal
基金
国家自然科学基金项目(50573063)
(教育部)新世纪优秀人才计划(NCET-05-0566)~~
关键词
耗散粒子动力学
自组装
聚苯胺
聚乙二醇
dissipative particle dynamics
self-assembly
polyaniline
poly （ethylene glycol）
