Interaction between charged nanoparticles in deionized suspensions

We develop a theoretical framework to calculate the interaction potential between charged nanoparticles in monovalent deionized suspensions. The approach is based on the renormalized Jellium (rJellium) model, which provides the effective charge governing the far-field behavior of the Derjaguin, Landau, Verwey, and Overbeek (DLVO) potential. For short interparticle separations, we combine rJellium with the modified Derjaguin approximation, explicitly accounting for local violations of charge neutrality while imposing a constant-charge boundary condition on the Derjaguin surfaces. The theoretical predictions are systematically compared with Monte Carlo simulations, where the infinite system size is treated using Ewald summation. We find excellent quantitative agreement across all separations, surface charge densities, colloidal volume fractions, and particle sizes-without any adjustable parameters.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2026-02-12
DOI
https://doi.org/10.1063/5.0313546
Primary Topic
Electrostatics and Colloid Interactions
Type
article
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article

Interaction between charged nanoparticles in deionized suspensions

Yan Levin, Alexandre P. dos Santos
The Journal of Chemical Physics
Electrostatics and Colloid Interactions
article

Interaction between charged nanoparticles in deionized suspensions

Yan Levin, Alexandre P. dos Santos
article en

Abstract

We develop a theoretical framework to calculate the interaction potential between charged nanoparticles in monovalent deionized suspensions. The approach is based on the renormalized Jellium (rJellium) model, which provides the effective charge governing the far-field behavior of the Derjaguin, Landau, Verwey, and Overbeek (DLVO) potential. For short interparticle separations, we combine rJellium with the modified Derjaguin approximation, explicitly accounting for local violations of charge neutrality while imposing a constant-charge boundary condition on the Derjaguin surfaces. The theoretical predictions are systematically compared with Monte Carlo simulations, where the infinite system size is treated using Ewald summation. We find excellent quantitative agreement across all separations, surface charge densities, colloidal volume fractions, and particle sizes-without any adjustable parameters.

The Journal of Chemical PhysicsVol. 164(6)
Universidade Federal do Rio Grande do Sul (BR)
Peace, Justice and strong institutions
Openalex Percentile: Top 57%
Electrostatics and Colloid Interactions
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Interaction between charged nanoparticles in deionized suspensions — Yan Levin, Alexandre P. dos Santos · The Journal of Chemical Physics (2026) | TGRS Research Map | TGRS