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Fugacity-based lattice Boltzmann method for multicomponent multiphase systems.

Muzammil Soomro1, Luis F Ayala1, Cheng Peng2

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Summary
This summary is machine-generated.

This study introduces a new fugacity-based free-energy lattice Boltzmann model for simulating multicomponent multiphase fluids. The model accurately predicts vapor-liquid equilibrium and phase behavior for partially miscible mixtures.

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Area of Science:

  • Computational fluid dynamics
  • Thermodynamics
  • Chemical engineering

Background:

  • Lattice Boltzmann methods (LBM) are extended to multiphase systems using free-energy models.
  • Existing models struggle with multicomponent fluids, partial miscibility, and generalization with equations of state.
  • A need exists for versatile models simulating complex fluid mixtures.

Purpose of the Study:

  • Introduce a novel free-energy lattice Boltzmann model for multicomponent multiphase flows.
  • Incorporate fugacity for accurate thermodynamic property calculations.
  • Generalize the model for compatibility with any multicomponent equation of state.

Main Methods:

  • Developed a free-energy lattice Boltzmann model.
  • Utilized fugacity as the forcing term, linking partial pressure and chemical potential.
  • Validated with vapor-liquid equilibrium simulations for two- and three-component mixtures.

Main Results:

  • The fugacity-based model accurately reproduces phase densities and compositions.
  • Successfully simulated characteristic pressure-composition and temperature-composition envelopes.
  • Demonstrated reliable predictions under both equilibrium and dynamic conditions.

Conclusions:

  • The fugacity-based lattice Boltzmann method offers a versatile approach for multicomponent multiphase fluid simulations.
  • The model's ability to integrate with various equations of state enhances its applicability.
  • This method provides accurate predictions for complex fluid systems.