Modeling Ion-Specific Effects in Polyelectrolyte Brushes: A Modified Poisson-Nernst-Planck Model
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866911954864439296 |
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| author | Ceely, William J Chugunova, Marina Nadim, Ali Sterling, James D |
| author_facet | Ceely, William J Chugunova, Marina Nadim, Ali Sterling, James D |
| contents | Polyelectrolyte brushes consist of a set of charged linear macromolecules each tethered at one end to a surface. An example is the glycocalyx which refers to hair-like negatively charged sugar molecules that coat the outside membrane of all cells. We consider the transport and equilibrium distribution of ions, and the resulting electrical potential, when such a brush is immersed in a salt buffer containing monovalent cations (sodium and/or potassium). The Gouy-Chapman model for ion screening at a charged surface captures the effects of the Coulombic force that drives ion electrophoresis and diffusion, but neglects non-Coulombic forces and ion pairing. By including the distinct binding affinities of these counter-ions with the brush, and their so-called Born radii, which account for Born forces acting on them when the permittivity is non-uniform, we propose modified Poisson-Nernst-Planck continuum models that show the distinct profiles that may result depending on those ion-specific properties. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2407_09633 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Modeling Ion-Specific Effects in Polyelectrolyte Brushes: A Modified Poisson-Nernst-Planck Model Ceely, William J Chugunova, Marina Nadim, Ali Sterling, James D Biological Physics Soft Condensed Matter Polyelectrolyte brushes consist of a set of charged linear macromolecules each tethered at one end to a surface. An example is the glycocalyx which refers to hair-like negatively charged sugar molecules that coat the outside membrane of all cells. We consider the transport and equilibrium distribution of ions, and the resulting electrical potential, when such a brush is immersed in a salt buffer containing monovalent cations (sodium and/or potassium). The Gouy-Chapman model for ion screening at a charged surface captures the effects of the Coulombic force that drives ion electrophoresis and diffusion, but neglects non-Coulombic forces and ion pairing. By including the distinct binding affinities of these counter-ions with the brush, and their so-called Born radii, which account for Born forces acting on them when the permittivity is non-uniform, we propose modified Poisson-Nernst-Planck continuum models that show the distinct profiles that may result depending on those ion-specific properties. |
| title | Modeling Ion-Specific Effects in Polyelectrolyte Brushes: A Modified Poisson-Nernst-Planck Model |
| topic | Biological Physics Soft Condensed Matter |
| url | https://arxiv.org/abs/2407.09633 |