How does the entropy of ternary polymer-solvent-cosolvent mixtures depend on the molar solvent fraction?
- Author(s)
- Evangelos Voyiatzis, Michael C. Böhm
- Abstract
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(s)
- Computational and Soft Matter Physics
- External organisation(s)
- Technische Universität Darmstadt
- Journal
- RSC Advances
- Volume
- 6
- Pages
- 97018-97021
- No. of pages
- 4
- ISSN
- 2046-2069
- DOI
- https://doi.org/10.1039/c6ra23340f
- Publication date
- 2016
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103015 Condensed matter, 104017 Physical chemistry
- Keywords
- ASJC Scopus subject areas
- General Chemical Engineering, General Chemistry
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/1ed29665-b4d2-4b7e-bad3-68775cc1dd6b