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The effective concentration of a species in a solution can be expressed precisely in terms of its activity. Activity considers the effect of electrolytes present in the vicinity of the species of interest and depends on the ionic strength of the solution. The activity of a species is expressed as the product of molar concentration and the activity coefficient of the species.
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Antiswarming: Structure and dynamics of repulsive chemically active particles.

Wen Yan1, John F Brady2

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Chemically active particles repel each other, forming crystalline structures like body-centered cubic (bcc) and face-centered cubic (fcc) lattices. This liquid-to-crystal transition occurs around a chemical coupling parameter Γc of 140.

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Area of Science:

  • Soft Matter Physics
  • Chemical Physics
  • Materials Science

Background:

  • Chemically active Brownian particles exhibit self-propulsion and inter-particle interactions.
  • Diffusiophoresis, driven by concentration gradients of chemical species, can lead to particle repulsion.

Purpose of the Study:

  • To investigate the self-assembly and crystalline structure formation of chemically active Brownian particles.
  • To establish a connection between particle behavior and the one-component plasma (OCP) model.

Main Methods:

  • Simulations of chemically active particles with surface catalytic reactions.
  • Analysis of diffusiophoretic interactions and their dependence on chemical coupling parameter Γc.
  • Mapping the system to the electrostatic one-component plasma (OCP) model.

Main Results:

  • Particles repel each other due to diffusiophoretic forces, influenced by reaction and product concentration fields.
  • Spontaneous formation of body-centered cubic (bcc) and face-centered cubic (fcc) crystals from random configurations.
  • Identification of a critical chemical coupling parameter Γc ≈ 140 for the liquid-to-crystal transition.

Conclusions:

  • Diffusiophoretic repulsion in chemically active particles drives self-assembly into ordered crystalline structures.
  • The system exhibits a phase transition analogous to melting in classical plasmas.
  • The chemical coupling parameter Γc is crucial for controlling particle assembly and crystal stability.