Wavelet treatment of the intrachain correlation functions of homopolymers in dilute solutions

M V Fedorov, G N Chuev, Y A Kuznetsov, E G Timoshenko

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8 Citations (Scopus)

Abstract

Discrete wavelets are applied to the parametrization of the intrachain two-point correlation functions of homopolymers in dilute solutions obtained from Monte Carlo simulations. Several orthogonal and biorthogonal basis sets have been investigated for use in the truncated wavelet approximation. The quality of the approximation has been assessed by calculation of the scaling exponents obtained from the des Cloizeaux ansatz for the correlation functions of homopolymers with different connectivities in a good solvent. The resulting exponents are in better agreement with those from recent renormalization group calculations as compared to the data without the wavelet denoising. We also discuss how the wavelet treatment improves the quality of data for correlation functions from simulations of homopolymers at varied solvent conditions and of heteropolymers.

Original languageEnglish
Article number051803
Pages (from-to)-
Number of pages13
JournalPhysical Review E: Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
Volume70
Issue number5
DOIs
Publication statusPublished - Nov 2004

Keywords

  • weigheted density approximation
  • n-body simulations
  • electronic structure
  • polymer solutions
  • thermodynamics
  • equations
  • liquids

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