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