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 language | English (US) |
|---|---|
| Pages (from-to) | 5947-5954 |
| Number of pages | 8 |
| Journal | Soft matter |
| Volume | 11 |
| Issue number | 29 |
| DOIs | |
| State | Published - Aug 7 2015 |
| Externally published | Yes |
All Science Journal Classification (ASJC) codes
- General Chemistry
- Condensed Matter Physics