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Modeling the assembly of oppositely charged multi-indented lock- and key-colloids
Björn Stenqvist1, Jérôme J Crassous1,2
1Division of Physical Chemistry, Lund University, POB 124, SE-22100 Lund, Sweden. bjorn.stenqvist@teokem.lu.se.
Soft Matter
|June 27, 2022
Summary
Oppositely charged lock- and key-particles form ordered clusters due to electrostatics. However, specific binding prevents lattice formation, resulting in disordered, gel-like structures at low particle concentrations.
Area of Science:
- Colloid science
- Materials science
- Computational physics
Background:
- Understanding particle self-assembly is crucial for designing novel materials.
- Electrostatic interactions play a significant role in the behavior of charged colloidal systems.
- Multi-indented particles offer unique binding possibilities compared to simple spheres.
Purpose of the Study:
- To investigate the self-assembly of oppositely charged multi-indented lock- and spherical key-particles.
- To determine the influence of electrostatic interactions on cluster formation.
- To explore the potential for forming ordered lattices versus disordered structures.
Main Methods:
- Monte Carlo simulations were employed to model particle interactions.
- Simulations were conducted at low volume fractions to mimic dilute conditions.
- Varying numbers of indentations and particle ratios were explored.
Main Results:
- Ordered clusters with highly directional bonds were observed, driven by electrostatics.
- Despite conditions favoring lattice formation, only gel-like structures emerged.
- Specific binding interactions hindered the spontaneous assembly of dense, ordered aggregates.
Conclusions:
- Electrostatic forces alone can induce specific binding and cluster formation.
- The entropic cost associated with multi-particle binding impedes lattice formation.
- Disordered, gel-like structures are favored over defined lattices in this system at low concentrations.
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