Unrestricted component count in multiphase lattice Boltzmann: A fugacity-based approach

Area of Science:

• Computational physics and chemistry
• Fluid dynamics and thermodynamics
• Multiphase flow modeling

Background:

• Lattice Boltzmann method (LBM) simulations of multiphase fluids are typically limited by the number of chemical components.
• Modeling partially miscible systems with significant interfacial mass exchange becomes complex with increasing species count.
• Existing fugacity-based LBM lacked comprehensive validation for multicomponent systems beyond binary mixtures.

Purpose of the Study:

• To demonstrate the capability of a fugacity-based LBM to simulate multiphase mixtures with an unrestricted number of chemical components.
• To validate the model's thermodynamic consistency and accuracy for complex systems.
• To showcase its application in realistic engineering-relevant scenarios.

Main Methods:

• Utilized a recently developed fugacity-based lattice Boltzmann method.
• Performed simulations of multiphase mixtures with component numbers ranging from one to ten.
• Validated against the Young-Laplace equation and rigorous thermodynamic predictions.

Main Results:

• Successfully simulated multiphase mixtures up to ten components with thermodynamic consistency.
• Demonstrated linear scaling of computational time with the number of components.
• Showcased simulations of ternary diagrams, three-phase equilibrium, and a ten-component hydrocarbon mixture.

Conclusions:

• The fugacity-based LBM effectively removes component number restrictions for multiphase simulations.
• The model accurately reproduces thermodynamic behavior in complex, multicomponent systems.
• This advancement significantly expands the scope of LBM for engineering applications involving multiphase fluids.