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Arbitrary-Shape Dielectric Particles Interacting in the Linearized Poisson–Boltzmann Framework: An Analytical Treatment
[Image: see text] This work considers the interaction of two dielectric particles of arbitrary shape immersed into a solvent containing a dissociated salt and assuming that the linearized Poisson–Boltzmann equation holds. We establish a new general spherical re-expansion result which relies neither...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9761689/ https://www.ncbi.nlm.nih.gov/pubmed/36473089 http://dx.doi.org/10.1021/acs.jpcb.2c05564 |
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author | Siryk, Sergii V. Rocchia, Walter |
author_facet | Siryk, Sergii V. Rocchia, Walter |
author_sort | Siryk, Sergii V. |
collection | PubMed |
description | [Image: see text] This work considers the interaction of two dielectric particles of arbitrary shape immersed into a solvent containing a dissociated salt and assuming that the linearized Poisson–Boltzmann equation holds. We establish a new general spherical re-expansion result which relies neither on the conventional condition that particle radii are small with respect to the characteristic separating distance between particles nor on any symmetry assumption. This is instrumental in calculating suitable expansion coefficients for the electrostatic potential inside and outside the objects and in constructing small-parameter asymptotic expansions for the potential, the total electrostatic energy, and forces in ascending order of Debye screening. This generalizes a recent result for the case of dielectric spheres to particles of arbitrary shape and builds for the first time a rigorous (exact at the Debye–Hückel level) analytical theory of electrostatic interactions of such particles at arbitrary distances. Numerical tests confirm that the proposed theory may also become especially useful in developing a new class of grid-free, fast, highly scalable solvers. |
format | Online Article Text |
id | pubmed-9761689 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-97616892022-12-20 Arbitrary-Shape Dielectric Particles Interacting in the Linearized Poisson–Boltzmann Framework: An Analytical Treatment Siryk, Sergii V. Rocchia, Walter J Phys Chem B [Image: see text] This work considers the interaction of two dielectric particles of arbitrary shape immersed into a solvent containing a dissociated salt and assuming that the linearized Poisson–Boltzmann equation holds. We establish a new general spherical re-expansion result which relies neither on the conventional condition that particle radii are small with respect to the characteristic separating distance between particles nor on any symmetry assumption. This is instrumental in calculating suitable expansion coefficients for the electrostatic potential inside and outside the objects and in constructing small-parameter asymptotic expansions for the potential, the total electrostatic energy, and forces in ascending order of Debye screening. This generalizes a recent result for the case of dielectric spheres to particles of arbitrary shape and builds for the first time a rigorous (exact at the Debye–Hückel level) analytical theory of electrostatic interactions of such particles at arbitrary distances. Numerical tests confirm that the proposed theory may also become especially useful in developing a new class of grid-free, fast, highly scalable solvers. American Chemical Society 2022-12-06 2022-12-15 /pmc/articles/PMC9761689/ /pubmed/36473089 http://dx.doi.org/10.1021/acs.jpcb.2c05564 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Siryk, Sergii V. Rocchia, Walter Arbitrary-Shape Dielectric Particles Interacting in the Linearized Poisson–Boltzmann Framework: An Analytical Treatment |
title | Arbitrary-Shape
Dielectric Particles Interacting in
the Linearized Poisson–Boltzmann Framework: An Analytical Treatment |
title_full | Arbitrary-Shape
Dielectric Particles Interacting in
the Linearized Poisson–Boltzmann Framework: An Analytical Treatment |
title_fullStr | Arbitrary-Shape
Dielectric Particles Interacting in
the Linearized Poisson–Boltzmann Framework: An Analytical Treatment |
title_full_unstemmed | Arbitrary-Shape
Dielectric Particles Interacting in
the Linearized Poisson–Boltzmann Framework: An Analytical Treatment |
title_short | Arbitrary-Shape
Dielectric Particles Interacting in
the Linearized Poisson–Boltzmann Framework: An Analytical Treatment |
title_sort | arbitrary-shape
dielectric particles interacting in
the linearized poisson–boltzmann framework: an analytical treatment |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9761689/ https://www.ncbi.nlm.nih.gov/pubmed/36473089 http://dx.doi.org/10.1021/acs.jpcb.2c05564 |
work_keys_str_mv | AT siryksergiiv arbitraryshapedielectricparticlesinteractinginthelinearizedpoissonboltzmannframeworkananalyticaltreatment AT rocchiawalter arbitraryshapedielectricparticlesinteractinginthelinearizedpoissonboltzmannframeworkananalyticaltreatment |