Simulations of stretching a flexible polyelectrolyte with varying charge separation
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Univ. of California, Santa Barbara, CA (United States)
We calculated the force-extension curves for a flexible polyelectrolyte chain with varying charge separations by performing Monte Carlo simulations of a 5000 bead chain using a screened Coulomb interaction. At all charge separations, the force-extension curves exhibit a Pincus-like scaling regime at intermediate forces and a logarithmic regime at large forces. As the charge separation increases, the Pincus regime shifts to a larger range of forces and the logarithmic regime starts are larger forces. We also found that force-extension curve for the corresponding neutral chain has a logarithmic regime. Decreasing the diameter of bead in the neutral chain simulations removed the logarithmic regime, and the force-extension curve tends to the freely jointed chain limit. In conclusion, this result shows that only excluded volume is required for the high force logarithmic regime to occur.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Organization:
- National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1326059
- Report Number(s):
- SAND-2016-3569J; 647401
- Journal Information:
- European Physical Journal. Special Topics, Journal Name: European Physical Journal. Special Topics; ISSN 1951-6355
- Publisher:
- SpringerCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
The effect of chain stiffness and salt on the elastic response of a polyelectrolyte
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journal | October 2018 |
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