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Journal of Chemical Physics / Volume 135 / Issue 22 / ARTICLES / Polymers and Complex Systems

J. Chem. Phys. 135, 224904 (2011); http://dx.doi.org/10.1063/1.3665924 (11 pages)

Stimuli-response of charged diblock copolymer brushes

Dong Meng and Qiang Wang

Department of Chemical and Biological Engineering, Colorado State University, Fort Collins, Colorado 80523-1370, USA

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(Received 12 July 2011; accepted 11 November 2011; published online 13 December 2011)

Following our previous work on the solvent-response of uncharged diblock copolymer brushes (D. Meng and Q. Wang, J. Chem. Phys. 130, 134904 (2009)), we have performed continuum self-consistent field calculations to study the response (i.e., changes of brush height and surface-layer composition) of diblock brushes with only one block charged to various external stimuli, including solvent selectivity, solution pH, ionic strength, and applied electric field. Our study revealed complex interplay among various stimuli, which needs to be well understood in order to design smart surfaces from charged diblock brushes.

© 2011 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. THEORETICAL FORMALISM AND NUMERICAL METHODS
    1. Self-consistent field (SCF) equations
    2. Numerical methods and calculated quantities
  3. RESULTS AND DISCUSSION
    1. Effects of charge and salt
      1. The case of A block charged
      2. The case of B block charged
    2. Effects of solution p H
    3. Effects of applied electric field
      1. The case of A block charged
      2. The case of B block charged
  4. SUMMARY

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KEYWORDS and PACS

Keywords

molecular dynamics method, pH, polymer blends, SCF calculations

PACS

  • 61.43.Bn

    Structural modeling: serial-addition models, computer simulation

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3665924

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.
    D. Meng and Q. Wang, J. Chem. Phys. 130, 134904 (2009)JCPSA6000130000013134904000001.

    D. Heine and D. T. Wu, J. Chem. Phys. 114, 5313 (2001)JCPSA6000114000012005313000001.

    M. Baratlo and H. Fazli, Phys. Rev. E 81, 011801 (2010).


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