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Phase behaviour of semiflexible lattice polymers in poor-solvent solution: Mean-field theory and Monte Carlo simulations

Marcato, Davide
•
Giacometti, Achille
•
Maritan, Amos
•
Rosa, Angelo
2023
  • journal article

Periodico
JOURNAL OF CHEMICAL PHYSICS ONLINE
Abstract
: We study a solution of interacting semiflexible polymers with curvature energy in poor-solvent conditions on the d-dimensional cubic lattice using mean-field theory and Monte Carlo computer simulations. Building upon past studies on a single chain, we construct a field-theory representation of the system and solve it within a mean-field approximation supported by Monte Carlo simulations in d = 3. A gas-liquid transition is found in the temperature-density plane that is then interpreted in terms of real systems. Interestingly, we find this transition to be independent of the bending rigidity. Past classical Flory-Huggins and Flory mean-field results are shown to be particular cases of this more general framework. Perspectives in terms of guiding experimental results towards optimal conditions are also proposed.
DOI
10.1063/5.0171911
WOS
WOS:001099545500004
Archivio
https://hdl.handle.net/20.500.11767/135081
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85174934648
https://arxiv.org/abs/2310.05211
https://ricerca.unityfvg.it/handle/20.500.11767/135081
Diritti
open access
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