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Multiparticle collision dynamics for fluid interfaces with near-contact interactions
Andrea Montessori1, Marco Lauricella1, Adriano Tiribocchi1
1Istituto per le Applicazioni del Calcolo CNR, via dei Taurini 19, 00185 Rome, Italy.
The Journal of Chemical Physics
|April 17, 2020
Summary
We enhanced the multiparticle collision dynamics method to simulate complex fluid interfaces with surfactant-like interactions, improving simulations of droplet repulsion and phase separation dynamics.
Area of Science:
- Fluid dynamics
- Soft matter physics
- Computational physics
Background:
- Simulating complex fluid interfaces is challenging.
- Existing methods struggle with near-contact phenomena and surfactant effects.
- Accurate modeling is crucial for understanding phase transitions and material properties.
Purpose of the Study:
- To extend the multiparticle collision dynamics (MPCD) method.
- To incorporate supramolecular near-contact interactions mimicking surfactants.
- To enable simulations of complex interfacial phenomena.
Main Methods:
- Developed an extended MPCD approach.
- Included short-range repulsive forces between particles.
- Mimicked surfactant behavior through tailored interactions.
- Applied the method to droplet interactions and phase separation.
Main Results:
- Successfully simulated short-range repulsion between droplets in close contact.
- Observed arrested phase separation in binary mixtures.
- Captured distinct pattern formation during spinodal decomposition.
- Demonstrated the method's capability for complex interfacial flows.
Conclusions:
- The extended MPCD method accurately captures complex interfacial phenomena.
- This approach provides a powerful tool for studying fluid systems with surfactant-like effects.
- The findings advance the simulation of soft matter and multiphase flows.
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