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Journal of Chemical Physics / Volume 118 / Issue 24 / ARTICLES / Polymers, Biopolymers, and Complex Systems

J. Chem. Phys. 118, 11278 (2003); http://dx.doi.org/10.1063/1.1575207 (8 pages)

Behavior of single nanoparticle/homopolymer chain in ordered structures of diblock copolymers

Qiang Wang, Paul F. Nealey, and Juan J. de Pablo

Department of Chemical Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706-1691

(Received 23 September 2002; accepted 26 March 2003)

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.

© 2003 American Institute of Physics

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KEYWORDS and PACS

Keywords

polymer blends, nanostructured materials, Monte Carlo methods, matrix algebra, phase separation

PACS

  • 61.41.+e

    Polymers, elastomers, and plastics

  • 61.46.-w

    Structure of nanoscale materials

  • 61.43.Bn

    Structural modeling: serial-addition models, computer simulation

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.1575207

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    G. J. A. Sevink, A. V. Zvelindovsky, B. A. C. van Vlimmeren, N. M. Maurits, and J. G. E. M. Fraaije, J. Chem. Phys. 110, 2250 (1999)JCPSA6000110000004002250000001.

    Q. Wang, Q. Yan, P. F. Nealey, and J. J. de Pablo, J. Chem. Phys. 112, 450 (2000)JCPSA6000112000001000450000001.

    M. Kikuchi and K. Binder, J. Chem. Phys. 101, 3367 (1994)JCPSA6000101000004003367000001.


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