Phase behaviour of semiflexible lattice polymers in poor-solvent solution: mean-field theory and Monte Carlo simulations
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arXiv
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| Autori principali: | , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2023
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| _version_ | 1866909233473126400 |
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| author | Marcato, Davide Giacometti, Achille Maritan, Amos Rosa, Angelo |
| author_facet | Marcato, Davide Giacometti, Achille Maritan, Amos Rosa, Angelo |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2310_05211 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | 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 Soft Condensed Matter Biological Physics 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. |
| title | Phase behaviour of semiflexible lattice polymers in poor-solvent solution: mean-field theory and Monte Carlo simulations |
| topic | Soft Condensed Matter Biological Physics |
| url | https://arxiv.org/abs/2310.05211 |