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Modeling intra- and intermolecular correlations for linear and branched polymers using a modified test-chain self-consistent field theory

Renfeng Hu and David T. Wu*

Dapeng Wang

  • Department of Chemical and Biological Engineering and Department of Chemistry, Colorado School of Mines, Golden, Colorado 80401, USA

  • State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China

  • *dwu@mines.edu
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Phys. Rev. E 95, 042502 – Published 13 April, 2017

DOI: https://doi.org/10.1103/PhysRevE.95.042502

Abstract

A modified test-chain self-consistent field theory (SCFT) is presented to study the intra- and intermolecular correlations of linear and branched polymers in various solutions and melts. The key to the test-chain SCFT is to break the the translational symmetry by fixing a monomer at the origin of a coordinate. This theory successfully describes the crossover from self-avoiding walk at short distances to screened random walk at long distances in a semidilute solution or melt. The calculations indicated that branching enhances the swelling of polymers in melts and influences stretching at short distances. The test-chain SCFT calculations show good agreement with experiments and classic polymer theories. We highlight that the theory presented here provides a solution to interpret the polymer conformation and behavior under various conditions within the framework of one theory.

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Outline

Information

Phys. Rev. E 95, 042502– Published 13 April, 2017
  • Received 18 July 2016
  • Revised 25 February 2017
Article part of CHORUS

©2017 American Physical Society

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