Quantitative Theory for Critical Conditions of Like-Charge Attraction between Polarizable Spheres

Despite extensive experimental and theoretical efforts, a concise quantitative theory to predict the occurrence of like-charge attraction (LCA) between polarizable spheres remains elusive. In this work, we first derive a novel three-point image formula, based on a key observation that connects the classical Neumann's image principle with the incomplete beta function. This approach naturally yields simple yet precise critical conditions for LCA, with a relative discrepancy of less than 1% compared to numerical simulations, validated across diverse parameter settings. The obtained critical conditions may provide physical insights into various processes potentially involving LCA, such as self-assembly, crystallization, and phase separation, across different length scales. Additionally, the new image formula is directly applicable to enhance the efficiency of polarizable force field calculations involving polarizable spheres.

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Publication Details

Journal
Journal of Chemical Theory and Computation
Published
2025-03-17
DOI
https://doi.org/10.1021/acs.jctc.5c00144
Citations
1
Primary Topic
Electrostatics and Colloid Interactions
Type
article
Field-Weighted Citation Impact
1.75

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article

Quantitative Theory for Critical Conditions of Like-Charge Attraction between Polarizable Spheres

Zecheng Gan, Yuhua Duan
1 citations
Journal of Chemical Theory and Computation
Electrostatics and Colloid Interactions
1.75
article

Quantitative Theory for Critical Conditions of Like-Charge Attraction between Polarizable Spheres

Zecheng Gan, Yuhua Duan
article en
1 citations

Abstract

Despite extensive experimental and theoretical efforts, a concise quantitative theory to predict the occurrence of like-charge attraction (LCA) between polarizable spheres remains elusive. In this work, we first derive a novel three-point image formula, based on a key observation that connects the classical Neumann's image principle with the incomplete beta function. This approach naturally yields simple yet precise critical conditions for LCA, with a relative discrepancy of less than 1% compared to numerical simulations, validated across diverse parameter settings. The obtained critical conditions may provide physical insights into various processes potentially involving LCA, such as self-assembly, crystallization, and phase separation, across different length scales. Additionally, the new image formula is directly applicable to enhance the efficiency of polarizable force field calculations involving polarizable spheres.

Journal of Chemical Theory and ComputationVol. 21(6)
Hong Kong University of Science and Technology (HK), Toronto Metropolitan University (CA), University of Hong Kong (HK)
Natural Science Foundation of Guangzhou City, National Natural Science Foundation of China, Natural Science Foundation of Guangdong Province
Openalex Percentile: Top 17%
Electrostatics and Colloid Interactions
1.75
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