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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