Reversible Ionic Aggregation Kinetics in Concentrated Electrolytes
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arXiv
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| Format: | Preprint |
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2026
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| _version_ | 1866914523037827072 |
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| author | Goodwin, Zachary A. H. |
| author_facet | Goodwin, Zachary A. H. |
| contents | Here we develop a formalism for reversible ionic aggregation kinetics in an example concentrated electrolyte, building on previous equilibrium work of McEldrew and co-workers, and thermoreversible polymers and patchy particle systems. This is achieved through solving a macroscopic rate equation of open/occupied association sites, shown to be a solution of the reversible Smoluchowski aggregation equation, which predicts how ionic associations in electrolytes change subject to a step-change in conditions. We test the derived equations against atomistic molecular dynamics simulations of a salt-in-ionic liquid, where good qualitative agreement is obtained, but quantitative differences are found. This highlights the multiple time scales that exist in concentrated electrolytes, with a fast timescale preceding a longer timescale. We hope this formalism opens new avenues in understanding the dynamics and non-equilibrium behaviour in electrolytes. For example, the formalism can be developed further to investigate the non-Newtonian behaviour of concentrated electrolytes, double layer charging, and the slow dynamics of these electrolytes in confinement. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_07203 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Reversible Ionic Aggregation Kinetics in Concentrated Electrolytes Goodwin, Zachary A. H. Soft Condensed Matter Here we develop a formalism for reversible ionic aggregation kinetics in an example concentrated electrolyte, building on previous equilibrium work of McEldrew and co-workers, and thermoreversible polymers and patchy particle systems. This is achieved through solving a macroscopic rate equation of open/occupied association sites, shown to be a solution of the reversible Smoluchowski aggregation equation, which predicts how ionic associations in electrolytes change subject to a step-change in conditions. We test the derived equations against atomistic molecular dynamics simulations of a salt-in-ionic liquid, where good qualitative agreement is obtained, but quantitative differences are found. This highlights the multiple time scales that exist in concentrated electrolytes, with a fast timescale preceding a longer timescale. We hope this formalism opens new avenues in understanding the dynamics and non-equilibrium behaviour in electrolytes. For example, the formalism can be developed further to investigate the non-Newtonian behaviour of concentrated electrolytes, double layer charging, and the slow dynamics of these electrolytes in confinement. |
| title | Reversible Ionic Aggregation Kinetics in Concentrated Electrolytes |
| topic | Soft Condensed Matter |
| url | https://arxiv.org/abs/2603.07203 |