Overlap Concentration in Salt-Free Polyelectrolyte Solutions Article Swipe
Jonathan A. Bollinger
,
Gary S. Grest
,
Mark J. Stevens
,
Michael Rubinstein
·
YOU?
·
· 2021
· Open Access
·
· DOI: https://doi.org/10.1021/acs.macromol.1c01491
YOU?
·
· 2021
· Open Access
·
· DOI: https://doi.org/10.1021/acs.macromol.1c01491
For strongly charged polyelectrolytes in salt-free solutions, we use molecular dynamics simulations of a coarse-grained bead-spring model to calculate overlap concentrations c* and chain structure for polymers containing N = 10 to 1600 monomers. Over much of this range, we find that the end-to-end distance R* at c* increases faster than linearly with increasing N, as chains at the overlap concentration approach strongly extended conformations. This trend results in the overlap concentration c* decreasing as a stronger function of N than the classical prediction c* ~ N–2. Finally, this stronger dependence can be fit either by a logarithmic correction to scaling or by an apparent scaling c* ~ N–m, with m > 2.
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Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1021/acs.macromol.1c01491
- OA Status
- green
- Cited By
- 9
- References
- 17
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W3211031847
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W3211031847Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1021/acs.macromol.1c01491Digital Object Identifier
- Title
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Overlap Concentration in Salt-Free Polyelectrolyte SolutionsWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2021Year of publication
- Publication date
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2021-10-29Full publication date if available
- Authors
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Jonathan A. Bollinger, Gary S. Grest, Mark J. Stevens, Michael RubinsteinList of authors in order
- Landing page
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https://doi.org/10.1021/acs.macromol.1c01491Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
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greenOpen access status per OpenAlex
- OA URL
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https://www.osti.gov/biblio/1834133Direct OA link when available
- Concepts
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Polyelectrolyte, Scaling, Monomer, Salt (chemistry), Chemistry, Polymer, Logarithm, Chain (unit), Molecular dynamics, Aqueous solution, Chemical physics, Thermodynamics, Computational chemistry, Physics, Physical chemistry, Mathematics, Organic chemistry, Mathematical analysis, Astronomy, GeometryTop concepts (fields/topics) attached by OpenAlex
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9Total citation count in OpenAlex
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2025: 4, 2024: 1, 2023: 3, 2022: 1Per-year citation counts (last 5 years)
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17Number of works referenced by this work
- Related works (count)
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10Other works algorithmically related by OpenAlex
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