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Updated: Sep 15, 2025

Quantitative and Qualitative Examination of Particle-particle Interactions Using Colloidal Probe Nanoscopy
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Charge regulation effects on colloidal mixture nanoparticles.

Leticia López-Flores1, Monica Olvera de la Cruz1,2,3

  • 1Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.

The Journal of Chemical Physics
|July 15, 2025
PubMed
Summary
This summary is machine-generated.

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Charge regulation in colloidal systems alters nanoparticle surface charge and interactions. This pH-dependent effect disrupts network formation, impacting conductivity and 3D printing ink applications.

Area of Science:

  • Colloid Science
  • Physical Chemistry
  • Computational Materials Science

Background:

  • Changes in pH alter the protonation/deprotonation of dissociable sites, modifying system surface charge.
  • Surface charge variations influence electrostatic interactions, aggregation, stability, and structural behavior of colloidal systems.
  • Modeling pH-induced charge regulation in simulations remains challenging.

Purpose of the Study:

  • To model charge regulation effects in an equimolar colloidal charged system using hybrid Monte Carlo-molecular dynamics simulations.
  • To compare charge regulation effects with a system lacking dissociable nanoparticle charges.
  • To investigate the impact of charge regulation on nanoparticle network formation and phase behavior.

Main Methods:

  • Hybrid Monte Carlo-molecular dynamics simulations were employed.

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  • Simulations were performed on an equimolar colloidal charged system.
  • A comparative analysis was conducted between systems with and without charge regulation.

    • Main Results:

    • Charge regulation significantly modifies the system's phase diagram and the volume fraction for nanoparticle percolation networks.
    • Charge regulation was observed to disrupt network formation due to cooperative effects on charge dissociation.
    • The degree of charge dissociation among nanoparticles influences cluster formation.

    Conclusions:

    • pH-dependent charge regulation impacts colloidal system structure and network formation.
    • Ionic and/or electronic conductivity in functionalized nanoparticles can be tuned by adjusting pH.
    • Findings provide guidance for designing nanoparticle inks for 3D printing applications.