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Journal of Chemical Physics / Volume 131 / Issue 23 / ARTICLES / Polymers and Complex Systems

J. Chem. Phys. 131, 234903 (2009); http://dx.doi.org/10.1063/1.3273426 (6 pages)

On the anisotropy of lattice polymers

Qiang Wang

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

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(Received 17 August 2009; accepted 20 November 2009; published online 17 December 2009)

We quantified the anisotropy of various lattice models used in polymer simulations based on two quantities: the Fourier transform of the normalized Boltzmann factor of allowable bonds on a lattice (which is the central quantity for describing lattice chain conformations) and the bulk lamellar period at the mean-field order-disorder transition (ODT) of symmetric diblock copolymers on a lattice (which is pertinent to the study of microphase separation). This allowed us to compare the anisotropy of different lattices and to design new lattice models that minimize the quantified anisotropy. A lattice field theory based on the same Hamiltonian used in the newly proposed fast lattice Monte Carlo simulations [ Q. Wang, Soft Matter 5, 4564 (2009) ] is also presented, along with some mean-field results on the ODT of symmetric diblock copolymers on these lattices obtained under the random-phase approximation.

© 2009 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. THEORETICAL FORMALISM
  3. 2D LATTICES
  4. 3D LATTICES
  5. SUMMARY

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KEYWORDS and PACS

Keywords

Boltzmann equation, Fourier transforms, lattice field theory, Monte Carlo methods, order-disorder transformations, phase separation, polymer blends, RPA calculations

PACS

  • 61.41.+e

    Polymers, elastomers, and plastics

  • 64.60.Cn

    Order-disorder transformations

  • 64.75.Va

    Phase separation and segregation in polymer blends/polymeric solutions

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3273426

PUBLICATION DATA

ISSN

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

Publisher

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

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