Modeling the stretching of wormlike chains in the presence of excluded volume

Xiaolan Li, Charles M. Schroeder, Kevin D. Dorfman

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

We propose an interpolation formula (the EV-WLC relation) for the force-extension behavior of wormlike chains in the presence of hard-core excluded volume interactions, analogous to the classic interpolation formula from Marko and Siggia for ideal wormlike chains. Using pruned-enriched Rosenbluth method (PERM) simulations of asymptotically long, discrete wormlike chains in an external force, we show that the error in the EV-WLC interpolation formula to describe discrete wormlike chains is systematically smaller than the error in the Marko-Siggia interpolation formula, except for the saturation region in which both formulas have the same limiting behavior. We anticipate that the EV-WLC interpolation formula will prove useful in the coarse-graining of wormlike chain models for dynamic simulations. Related results for the excess free energy due to excluded volume provide strong support for the physical basis of the Pincus regime.

Original languageEnglish (US)
Pages (from-to)5947-5954
Number of pages8
JournalSoft Matter
Volume11
Issue number29
DOIs
StatePublished - Aug 7 2015

Bibliographical note

Publisher Copyright:
© The Royal Society of Chemistry 2015.

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