Fugacity-based lattice Boltzmann method for multicomponent multiphase systems

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.