Bharadwaj, Swaminath ; Nayar, Divya ; Dalgicdir, Cahit ; Vegt, Nico F. A. van der (2024)
A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents.
In: Communications Chemistry, 2020, 3 (1)
doi: 10.26083/tuprints-00024038
Artikel, Zweitveröffentlichung, Verlagsversion
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Kurzbeschreibung (Abstract)
The coil–globule transition of aqueous polymers is of profound significance in understanding the structure and function of responsive soft matter. In particular, the remarkable effect of amphiphilic cosolvents (e.g., alcohols) that leads to both swelling and collapse of stimuli-responsive polymers has been hotly debated in the literature, often with contradictory mechanisms proposed. Using molecular dynamics simulations, we herein demonstrate that alcohols reduce the free energy cost of creating a repulsive polymer–solvent interface via a surfactant-like mechanism which surprisingly drives polymer collapse at low alcohol concentrations. This hitherto neglected role of interfacial solvation thermodynamics is common to all coil–globule transitions, and rationalizes the experimentally observed effects of higher alcohols and polymer molecular weight on the coil-to-globule transition of thermoresponsive polymers. Polymer–(co)solvent attractive interactions reinforce or compensate this mechanism and it is this interplay which drives polymer swelling or collapse.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2024 |
| Autor(en): | Bharadwaj, Swaminath ; Nayar, Divya ; Dalgicdir, Cahit ; Vegt, Nico F. A. van der |
| Art des Eintrags: | Zweitveröffentlichung |
| Titel: | A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents |
| Sprache: | Englisch |
| Publikationsjahr: | 25 September 2024 |
| Ort: | Darmstadt |
| Publikationsdatum der Erstveröffentlichung: | 11 November 2020 |
| Ort der Erstveröffentlichung: | London |
| Verlag: | Springer Nature |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Communications Chemistry |
| Jahrgang/Volume einer Zeitschrift: | 3 |
| (Heft-)Nummer: | 1 |
| Kollation: | 7 Seiten |
| DOI: | 10.26083/tuprints-00024038 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/24038 |
| Zugehörige Links: | |
| Herkunft: | Zweitveröffentlichung DeepGreen |
| Kurzbeschreibung (Abstract): | The coil–globule transition of aqueous polymers is of profound significance in understanding the structure and function of responsive soft matter. In particular, the remarkable effect of amphiphilic cosolvents (e.g., alcohols) that leads to both swelling and collapse of stimuli-responsive polymers has been hotly debated in the literature, often with contradictory mechanisms proposed. Using molecular dynamics simulations, we herein demonstrate that alcohols reduce the free energy cost of creating a repulsive polymer–solvent interface via a surfactant-like mechanism which surprisingly drives polymer collapse at low alcohol concentrations. This hitherto neglected role of interfacial solvation thermodynamics is common to all coil–globule transitions, and rationalizes the experimentally observed effects of higher alcohols and polymer molecular weight on the coil-to-globule transition of thermoresponsive polymers. Polymer–(co)solvent attractive interactions reinforce or compensate this mechanism and it is this interplay which drives polymer swelling or collapse. |
| Freie Schlagworte: | Chemical physics, Polymers |
| ID-Nummer: | Artikel-ID: 165 |
| Status: | Verlagsversion |
| URN: | urn:nbn:de:tuda-tuprints-240381 |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 25 Sep 2024 11:29 |
| Letzte Änderung: | 26 Sep 2024 07:34 |
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| Suche nach Titel in: | TUfind oder in Google |
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