The DOI matches its Crossref record; 13 of the 13 references it cites were found in a registry or an index.
Fraction of Condensed Counterions around a Charged Rod: Comparison of Poisson−Boltzmann Theory and Computer Simulations
Open accessAbstract
We investigate the phenomenon of counterion condensation in a solution of highly charged rigid polyelectrolytes within the cell model. A method is proposed which based on the charge distribution function identifies both the fraction of condensed ions and the radial extension of the condensed layer. Within salt-free Poisson−Boltzmann (PB) theory it reproduces the well-known fraction 1−1/ξ of condensed ions for a Manning parameter ξ > 1. Furthermore, it predicts a weak salt dependence of this fraction and a breakdown of the concept of counterion condensation in the high-salt limit. We complement our theoretical investigations with molecular dynamics simulations of a cell-like model, which constantly yield a stronger condensation than predicted by PB theory. While the agreement between theory and simulation is excellent in the monovalent, weakly charged case, it deteriorates with increasing electrostatic interaction strength and, in particular, increasing valence. For instance, at a high concentration of divalent salt and large ξ our computer simulations predict charge oscillations, which mean-field theory is unable to reproduce.
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Citations
Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Computer Simulation of Liquids
P, S., & J, K. (1988) · Journal of Molecular Liquids · doi:10.1016/0167-7322(88)80022-9 · Cited by 15,812
Computer Simulation Using Particles
Hockney, R. W., & Eastwood, J. W. (1988) · Institute of Physics eBooks · doi:10.1887/0852743920 · Cited by 5,441
Molecular dynamics simulation for polymers in the presence of a heat bath
Grest, G. S., & Kremer, K. (1986) · Physical Review A · doi:10.1103/physreva.33.3628 · Cited by 1,893
Steric Effects in Electrolytes: A Modified Poisson-Boltzmann Equation
Borukhov, I., Andelman, D., & Orland, H. (1997) · Physical Review Letters · doi:10.1103/physrevlett.79.435 · Cited by 947
The Potential of an Infinite Rod-Like Molecule and the Distribution of the Counter Ions
Fuoss, R. M., Katchalsky, A., & Lifson, S. (1951) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.37.9.579 · Cited by 549
Katchalsky, A. (1971) · Pure and Applied Chemistry · doi:10.1351/pac197126030327 · Cited by 365
The electrostatic free energy of polyelectrolyte solutions. II. Fully stretched macromolecules
Lifson, S., & Katchalsky, A. (1954) · Journal of Polymer Science · doi:10.1002/pol.1954.120136804 · Cited by 325
Manning, G. S. (1969) · The Journal of Chemical Physics · doi:10.1063/1.1672502 · Cited by 258
Strongly Charged, Flexible Polyelectrolytes in Poor Solvents: Molecular Dynamics Simulations
Micka, U., Holm, C., & Kremer, K. (1999) · Langmuir · doi:10.1021/la981191a · Cited by 235
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Hansen, J.-P., & Löwen, H. (2000) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.51.1.209 · Cited by 451
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Liu, L., Pincus, P. A., & Hyeon, C. (2017) · Macromolecules · doi:10.1021/acs.macromol.6b02685 · Cited by 40
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Metadata
- Authors
- Deserno, M., Holm, C., & May, S.
- Venue
- Macromolecules
- Publisher
- American Chemical Society (ACS)
- Published
- 1999-12-14
- Volume
- 33
- Issue
- 1
- Pages
- 199-206
- ISSN
- 0024-9297 (ISSN-L)
- 1520-5835
- OpenAlex
- W2166737817
- Cited by
- 300
- References
- 13
- FWCI
- 11.31
- Type
- journal article
- Language
- en
- Open access
- green
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