CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2009, Vol. 26 ›› Issue (6): 917-924.

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Self-assembling of Amphiphilic Macromolecules: Self-consistent Field Theory

YIN Haifeng1, ZHU Yuejin2, ZENG Chunhua1   

  1. 1. College of Science, Kaili University, Kaili 556000, China;
    2. Department of Physics, Ningbo University, Ningbo 315211, China
  • Received:2008-05-29 Revised:2009-01-06 Online:2009-11-25 Published:2009-11-25

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

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