Theory of polymers in binary solvent solutions: Mean-field free energy and phase behavior
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 $n\ensuremath{\rightarrow}0$, 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.
Authors
- Davide Marcato (ORCID: https://orcid.org/0009-0004-3439-9416)
- Angelo Rosa (ORCID: https://orcid.org/0000-0002-9627-2486)
- Achille Giacometti
- Amos Maritan (ORCID: https://orcid.org/0000-0002-3535-7873)
Institutions
- Scuola Internazionale Superiore di Studi Avanzati (IT)
- University of Padua (IT)
- Ca' Foscari University of Venice (IT)
Publication Details
- Journal
- Physical Review Materials
- Published
- 2024-12-27
- DOI
- https://doi.org/10.1103/physrevmaterials.8.125601
- Citations
- 3
- Primary Topic
- Polymer crystallization and properties
- Type
- article
- Field-Weighted Citation Impact
- 0.51
Funders
- Ministero dell’Istruzione, dell’Università e della Ricerca