Die u:cris Detailansicht:
How does the entropy of ternary polymer-solvent-cosolvent mixtures depend on the molar solvent fraction?
- Autor(en)
- Evangelos Voyiatzis, Michael C. Böhm
- Abstrakt
A decomposition of the entropy of dilute ternary polymer-solvent-cosolvent systems into pair terms is proposed. The variation of each term and its contribution to the total entropy in a coil-globule-coil transition is quantified by molecular dynamics simulations. Contrary to intuition, the modifications of the intramolecular polymer entropy are much smaller than the ones in the polymer-solvent and polymer-cosolvent entropy. For each solvent-cosolvent concentration, we identify the leading entropy term. Furthermore, we relate the modifications of all pair entropies to the occurring changes in the polymer structure.
- Organisation(en)
- Computergestützte Physik und Physik der Weichen Materie
- Externe Organisation(en)
- Technische Universität Darmstadt
- Journal
- RSC Advances
- Band
- 6
- Seiten
- 97018-97021
- Anzahl der Seiten
- 4
- ISSN
- 2046-2069
- DOI
- https://doi.org/10.1039/c6ra23340f
- Publikationsdatum
- 2016
- Peer-reviewed
- Ja
- ÖFOS 2012
- 103015 Kondensierte Materie, 104017 Physikalische Chemie
- Schlagwörter
- ASJC Scopus Sachgebiete
- Allgemeine chemische Verfahrenstechnik, Allgemeine Chemie
- Link zum Portal
- https://ucrisportal.univie.ac.at/de/publications/1ed29665-b4d2-4b7e-bad3-68775cc1dd6b