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Symmetric free-energy-based multicomponent lattice Boltzmann method.

Qun Li¹, A J Wagner

¹Department of Physics, North Dakota State University, Fargo, North Dakota 58105, USA.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

|October 13, 2007

Summary

We developed a new lattice Boltzmann algorithm to simulate multicomponent systems. This method accurately models thermodynamic properties and component dynamics, verified in binary and ternary system simulations.

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Area of Science:

Computational physics and chemistry
Multiphase flow modeling
Thermodynamics

Background:

Simulating multicomponent systems is crucial for understanding complex fluid dynamics.
Existing models often face challenges in accurately capturing thermodynamic properties and dynamics across arbitrary numbers of components.
Developing versatile and thermodynamically consistent simulation methods is an ongoing research area.

Purpose of the Study:

To introduce a novel lattice Boltzmann algorithm for simulating multicomponent systems.
To incorporate thermodynamic properties, including chemical potential and system pressure, into the simulation model.
To validate the algorithm's accuracy through simulations of binary and ternary systems.

Main Methods:

Development of a lattice Boltzmann algorithm grounded in an underlying free energy principle.
Derivation of symmetrical convection-diffusion equations for individual components.
Incorporation of Navier-Stokes and continuity equations for the overall system dynamics.
Simulation of binary and ternary systems to test algorithm performance.

Main Results:

The algorithm successfully simulates the dynamics of multicomponent systems with an arbitrary number of components.
Thermodynamic properties like chemical potential and system pressure are effectively integrated into the model.
Simulated equilibrium concentrations for binary and ternary systems show excellent agreement with theoretical predictions.

Conclusions:

The presented lattice Boltzmann algorithm provides a robust framework for simulating multicomponent systems.
The model's ability to incorporate thermodynamic properties enhances its applicability to complex fluid systems.
The verified accuracy in binary and ternary systems suggests broad potential for this computational approach.