高等学校化学学报
高等學校化學學報
고등학교화학학보
Chemical Journal of Chinese Universities
2015年
9期
1752-1758
,共7页
刘冬梅%戴利均%段晓征%石彤非%张汉壮
劉鼕梅%戴利均%段曉徵%石彤非%張漢壯
류동매%대리균%단효정%석동비%장한장
两嵌段共聚物%共混体系%界面性质%Monte Carlo模拟
兩嵌段共聚物%共混體繫%界麵性質%Monte Carlo模擬
량감단공취물%공혼체계%계면성질%Monte Carlo모의
Diblock copolymer%Polymer blend%Interfacial property%Monte Carlo simulation
利用格子Monte Carlo( MC)模拟方法研究了两嵌段共聚物增容剂AB的链长及浓度对不相容性均聚物A/B共混体系界面性质的影响.研究结果表明,当两嵌段共聚物的体积分数ψC=0.05时,随着两嵌段共聚物分子链长NC从10增至20,界面厚度剧烈减小,而当两嵌段共聚物的分子链长NC进一步增加到60时,界面厚度轻微增加;两嵌段共聚物的取向参数q随着分子链长的增长而增加,即共聚物分子在垂直界面方向的拉伸程度增大.当两嵌段共聚物AB的分子链长NC固定为10时,随着链浓度增大,界面厚度增加,共聚物分子链取向参数q减小,共聚物分子在垂直界面方向的拉伸程度减小.
利用格子Monte Carlo( MC)模擬方法研究瞭兩嵌段共聚物增容劑AB的鏈長及濃度對不相容性均聚物A/B共混體繫界麵性質的影響.研究結果錶明,噹兩嵌段共聚物的體積分數ψC=0.05時,隨著兩嵌段共聚物分子鏈長NC從10增至20,界麵厚度劇烈減小,而噹兩嵌段共聚物的分子鏈長NC進一步增加到60時,界麵厚度輕微增加;兩嵌段共聚物的取嚮參數q隨著分子鏈長的增長而增加,即共聚物分子在垂直界麵方嚮的拉伸程度增大.噹兩嵌段共聚物AB的分子鏈長NC固定為10時,隨著鏈濃度增大,界麵厚度增加,共聚物分子鏈取嚮參數q減小,共聚物分子在垂直界麵方嚮的拉伸程度減小.
이용격자Monte Carlo( MC)모의방법연구료량감단공취물증용제AB적련장급농도대불상용성균취물A/B공혼체계계면성질적영향.연구결과표명,당량감단공취물적체적분수ψC=0.05시,수착량감단공취물분자련장NC종10증지20,계면후도극렬감소,이당량감단공취물적분자련장NC진일보증가도60시,계면후도경미증가;량감단공취물적취향삼수q수착분자련장적증장이증가,즉공취물분자재수직계면방향적랍신정도증대.당량감단공취물AB적분자련장NC고정위10시,수착련농도증대,계면후도증가,공취물분자련취향삼수q감소,공취물분자재수직계면방향적랍신정도감소.
We employed Monte Carlo simulation to investigate the effects of chain length and concentration of the diblock copolymer on the interfacial properties between two immiscible homopolymers. When the volume fraction of diblock copolymer is fixed at ψC=0. 05, as the chain length(NC) of diblock copolymer increases from 10 to 20 , the interface thickness decreases significantly;whereas with the chain length of diblock copoly-mer further increasing to NC=60, the interface thickness increases slightly. The orientation parameter q of the diblock copolymer chain enlarges with the increase of the diblock copolymer chain length, which means that the diblock copolymer is more stretched. When the diblock copolymer chain length is fixed as NC=10, as the volume fraction of diblock copolymer increases from ψC=0. 01 to 0. 05 , the interface thickness increases and the diblock copolymer chain orientation parameter q decreases, indicating that the stretching of diblock chain decreases.