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Theory of polymers in binary solvent solutions: Mean-field free energy and phase behavior

Marcato, Davide
•
Giacometti, Achille
•
Maritan, Amos
•
Rosa, Angelo
2024
  • journal article

Periodico
PHYSICAL REVIEW MATERIALS
Abstract
We present a lattice model for polymer solutions, explicitly incorporating interactions with a bath of solvent and cosolvent molecules. By exploiting the well-known analogy between polymer systems and the O(n)-vector spin model in the limit n→0, we derive an exact field-theoretic expression for the partition function of the system. The latter is then evaluated at the saddle point, providing a mean-field estimate of the free energy. The resulting expression, which conforms to the Flory-Huggins type, is then used to analyze the system's stability with respect to phase separation, complemented by a numerical approach based on convex hull evaluation. We demonstrate that this simple lattice model can effectively explain the behavior of a variety of seemingly unrelated polymer systems, which have been predominantly investigated in the past only through numerical simulations. This includes both single-chain and multichain solutions. Our findings emphasize the fundamental, mutually competing roles of solvent and cosolvent in polymer systems.
DOI
10.1103/physrevmaterials.8.125601
WOS
WOS:001390404100001
Archivio
https://hdl.handle.net/20.500.11767/147350
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85213871079
https://arxiv.org/abs/2407.01590
https://ricerca.unityfvg.it/handle/20.500.11767/147350
Diritti
closed access
license:non specificato
license:non specificato
license uri:na
license uri:na
Soggetti
  • Polymers, lattice fie...

  • Settore FIS/03 - Fisi...

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