Overlap Concentration of Sodium Polystyrene Sulfonate in Solution. Article Swipe
Mark J. Stevens
,
Bryce Thurston
,
Gary S. Grest
·
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.2172/2001929
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.2172/2001929
The overlap concentration c* of sodium polystyrene\nsulfonate in water is calculated using multichain atomistic and coarse\ngrained (CG) simulations for a range of chain lengths. Fully atomistic\nmolecular dynamics simulations are carried out for N = 32–192 monomers. The CG model was parameterized to match\nthe end-to-end distance from the atomistic simulations at small N and allows us to simulate a much larger N. Treating the hydrophobic backbone by inclusion of attraction between\nmonomers is an essential addition to the CG model. The simulation c* are in agreement with experimental data, yet at c*, the chains are not fully stretched, even for N as large as 1200. This implies that none of the experimental\nsystems are in the scaling regime and to reach the scaling regime\nfor NaPSS chains much longer than N = 1200 are required.
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https://openalex.org/W4388309291Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.2172/2001929Digital Object Identifier
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Overlap Concentration of Sodium Polystyrene Sulfonate in Solution.Work title
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articleOpenAlex work type
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enPrimary language
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2022Year of publication
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2022-03-01Full publication date if available
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Mark J. Stevens, Bryce Thurston, Gary S. GrestList of authors in order
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https://doi.org/10.2172/2001929Publisher landing page
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YesWhether a free full text is available
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greenOpen access status per OpenAlex
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https://www.osti.gov/biblio/2001929Direct OA link when available
- Concepts
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Sulfonate, Polystyrene, Pulmonary surfactant, Sodium, Polystyrene sulfonate, Flooding (psychology), Materials science, Chemistry, Chemical engineering, Organic chemistry, Polymer, Engineering, PEDOT:PSS, Psychology, PsychotherapistTop concepts (fields/topics) attached by OpenAlex
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0Total citation count in OpenAlex
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10Other works algorithmically related by OpenAlex
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