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Electrostatic interactions have been incorporated in dissipative particle dynamics (DPD) simulation. The electrostatic field is solved locally on a grid. Within this formalism, local inhomogeneities i...
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Behavior of single nanoparticle/homopolymer chain in ordered structures of diblock copolymers

J. Chem. Phys. 118, 11278 (2003); doi:10.1063/1.1575207

Issue Date: 22 June 2003

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Qiang Wang, Paul F. Nealey, and Juan J. de Pablo
Department of Chemical Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706-1691
We have performed Monte Carlo simulations to study the behavior of a single nanoparticle and a single homopolymer chain in ordered structures of diblock copolymers. Our results show that the microphase-separated copolymers can be used to position nanoparticles or homopolymers according to their interactions with the two blocks. This is consistent with recent experimental observations. We also observe that, while short neutral homopolymers segregate at the A–B interfaces, longer neutral homopolymers exhibit an apparent preference for the cylinders over the matrix, mainly due to geometrical considerations associated with the curvature of A–B interfaces. ©2003 American Institute of Physics.
History: Received 23 September 2002; accepted 26 March 2003
Permalink: http://link.aip.org/link/?JCPSA6/118/11278/1
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KEYWORDS and PACS

Keywords
PACS
  • 61.41.+e
    Structure of polymers, elastomers, and plastics
  • 61.46.+w
    Structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals
  • 61.43.Bn
    Structural modeling of disordered solids including serial-addition models, computer simulation
  • YEAR: 2003

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (18)
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