Monte Carlo simulation on symmetric ABA/AB copolymer blends in confined thin films

被引:5
|
作者
Song, Jianhui
Li, Yunqi
Huang, Qingrong
Shi, Tongfei [1 ]
An, Lijia
机构
[1] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China
[2] Rutgers State Univ, Dept Food Sci, New Brunswick, NJ 08901 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2007年 / 127卷 / 09期
基金
中国国家自然科学基金;
关键词
CONSISTENT-FIELD CALCULATIONS; LAMELLAR DIBLOCK COPOLYMER; EQUATION-OF-STATE; BLOCK-COPOLYMER; MICROPHASE SEPARATION; EQUILIBRIUM BEHAVIOR; ORDERED STRUCTURE; MOLECULAR-WEIGHT; POLYMER BLENDS; BINARY BLENDS;
D O I
10.1063/1.2764071
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The effects of blend composition on morphology, order-disorder transition (ODT), and chain conformation of symmetric ABA/AB copolymer blends confined between two neutral hard walls have been investigated by lattice Monte Carlo simulation. Only lamellar structure is observed in all the simulation morphologies under thermodynamic equilibrium state, which is supported by theoretical prediction. When the composition of AB diblock copolymer (phi) increases, both lamellar spacing and the corresponding ODT temperature increase, which can be attributed to the variation of conformation distribution of the diblock and the triblock copolymer chains. In addition, both diblock and triblock copolymer, chains with bridge conformation extend dramatically in the direction parallel to the surface when the system is in ordered state. Finally, the copolymer chain conformation depends strongly on both the blend composition and the incompatibility parameter chi N.
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页数:7
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