A lattice Boltzmann model for self-diffusiophoretic particles near and at liquid-liquid interfaces

Area of Science:

• Computational physics
• Soft matter physics
• Chemical engineering

Background:

• Self-phoretic particles exhibit autonomous motion driven by chemical gradients.
• Liquid-liquid interfaces present complex environments due to varying surface tensions and solubilities.
• Simulating multiphase systems with active particles requires sophisticated computational methods.

Purpose of the Study:

• To introduce a versatile mesoscopic computational model for simulating self-phoretic particles at liquid-liquid interfaces.
• To incorporate key physical phenomena such as particle wettability and differential product solubility.
• To investigate the controllable motion of active particles near and at interfaces.

Main Methods:

• A multiphase-multicomponent lattice Boltzmann method (LBM) was employed.
• The model features fully resolved solvent hydrodynamics.
• The method was validated against theoretically predictable numerical experiments.

Main Results:

• The model successfully simulates self-phoretic particle behavior at liquid-liquid interfaces.
• Particle wettability and differential solubility were effectively integrated into the model.
• Demonstrated that particle motion can be steered by adjusting phoretic mobilities, contact angle, and product solubility.

Conclusions:

• The developed LBM model provides a powerful tool for studying active particles in complex multiphase environments.
• The findings highlight the significant influence of interfacial properties and solute gradients on particle dynamics.
• This work opens avenues for designing and controlling active matter systems at interfaces.