How does the entropy of ternary polymer-solvent-cosolvent mixtures depend on the molar solvent fraction?

Evangelos Voyiatzis (Korresp. Autor*in), Michael C. Böhm

Veröffentlichungen: Beitrag in FachzeitschriftArtikelPeer Reviewed

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.
OriginalspracheEnglisch
Seiten (von - bis)97018-97021
Seitenumfang4
FachzeitschriftRSC Advances
Jahrgang6
Ausgabenummer99
DOIs
PublikationsstatusVeröffentlicht - 2016

ÖFOS 2012

  • 103015 Kondensierte Materie
  • 104017 Physikalische Chemie

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