CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2009, Vol. 26 ›› Issue (6): 917-924.
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YIN Haifeng1, ZHU Yuejin2, ZENG Chunhua1
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Abstract: Complex microstructures assembled with ABC amphiphilic nanoperticle-coil macromolecules are investigated with an extending serfconsistent field theory (SCFT) and density functional theory (DFT). The tail of macromolecule is an AB dibiock copolymer, and the attached "head" is a nanoparticle in dilute solution. Serf-assembly morphologies of ABC "tadpole" are different from aggregate morphologies of linear ABC triblock copolymers. As nanoparticle is hydrophilic, spherelike micelles are observed in a weak segregation state. While interaction between different species of "tadpole" increases to a strong segregation state, aggregate morphologies of tadpole transform from spherelike micelles to quadrangle or triangle micelles with increasing of hydrophobic property of blocks A and B. In this case, block B is distributed in corners of quadrangle or triangle micelles. As block A is hydrophilic, hydrophobic nanoparticle assembles into parallel rods or squares in spherelike micelles.
Key words: soft-matter, morphology, self-assemble
CLC Number:
O631.3
YIN Haifeng, ZHU Yuejin, ZENG Chunhua. Self-assembling of Amphiphilic Macromolecules: Self-consistent Field Theory[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2009, 26(6): 917-924.
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http://www.cjcp.org.cn/EN/Y2009/V26/I6/917