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Particle-based mesoscopic model for phase separation in a binary fluid mixture.

Surabhi Jaiswal1, Soudamini Sahoo2, Snigdha Thakur1

  • 1Department of Physics, Indian Institute of Science Education and Research Bhopal, Madhya Pradesh 462066, India.

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|June 17, 2023
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Summary
This summary is machine-generated.

This study introduces a new simulation model for binary fluid phase separation. The model accurately reproduces thermodynamic properties and phase behavior, aligning with existing literature.

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Area of Science:

  • Computational physics
  • Fluid dynamics
  • Materials science

Background:

  • Phase separation in binary fluids is crucial for material properties.
  • Existing simulation methods may lack accuracy in capturing nonideal fluid behavior.

Purpose of the Study:

  • To develop and validate a mesoscopic simulation model for 3D binary fluid phase separation.
  • To incorporate nonideal fluid interactions and thermodynamic consistency into particle-based simulations.

Main Methods:

  • Augmenting the multiparticle collision dynamics (MPCD) algorithm.
  • Incorporating excluded-volume interactions and stochastic collisions based on local fluid properties.
  • Thermodynamic consistency validated through pressure calculations (simulation and analytical).

Main Results:

  • The developed model accurately describes the nonideal equation of state for binary fluid mixtures.
  • Phase diagrams were generated, identifying parameters leading to phase separation.
  • Interfacial width and phase growth dynamics were consistent with existing literature.

Conclusions:

  • The augmented MPCD model provides a thermodynamically consistent and accurate approach for simulating binary fluid phase separation.
  • This model is suitable for exploring a wide range of parameters and conditions relevant to fluid behavior.