Interaction between charge-regulated metal nanoparticles in an electrolyte solution

Abstract

We present a theory which allows us to calculate the interaction potential between charge-regulated metal nanoparticles inside an acid-electrolyte solution. The approach is based on the recently introduced model of charge regulation which permits us to explicitly -- within a specific microscopic model -- relate the bulk association constant of a weak acid to the surface association constant for the same weak acid adsorption sites. When considering metal nanoparticles we explicitly account for the effect of the induced surface charge in the conducting core. To explore the accuracy of the approximations, we compare the ionic density profiles of an isolated charge-regulated metal nanoparticle with explicit Monte Carlo simulations of the same model. Once the accuracy of the theoretical approach is established, we proceed to calculate the interaction force between two charge-regulated metal nanoparticles by numerically solving the Poisson-Boltzmann equation with charge regulation boundary condition. The force is then calculated by integrating the electroosmotic stress tensor. We find that for metal nanoparticles the charge regulation boundary condition can be well approximated by the constant surface charge boundary condition, for which a very accurate Derjaguin-like approximation was recently introduced. On the other hand, a constant surface potential boundary condition often used in colloidal literature, shows a significant deviation from the charge regulation boundary condition for particles with large charge asymmetry.

The Journal of Physical Chemistry B 2020

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Cited by in corpus (6)

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• Equilibrium conformations and surface charge regulation of spherical polymer brushes in stretched regimes
• A new method for reactive constant pH simulations
• Explicit Solvent Effects on Macromolecular Interactions From a Solvent-Augmented Contact Value Theorem
• Charge Regulation Effect on Nanoparticles Interaction Mediated by Polyelectrolyte
• Highly Heterogeneous Polarization and Solvation of Gold Nanoparticles in Aqueous Electrolytes