: 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.

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. - In: JOURNAL OF CHEMICAL PHYSICS ONLINE. - ISSN 1089-7690. - 159:15(2023), pp. 1-18. [10.1063/5.0171911]

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

Marcato, Davide
Membro del Collaboration group
;
Giacometti, Achille
Membro del Collaboration group
;
Maritan, Amos
Membro del Collaboration group
;
Rosa, Angelo
Membro del Collaboration group
2023-01-01

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.
2023
159
15
1
18
154901
https://arxiv.org/abs/2310.05211
Marcato, Davide; Giacometti, Achille; Maritan, Amos; Rosa, Angelo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/135081
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