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A lattice Boltzmann model for reactive mixtures.

N Sawant¹, B Dorschner¹, I V Karlin¹

¹Department of Mechanical and Process Engineering, ETH Zurich, 8092 Zurich, Switzerland.

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences

|August 30, 2021

Summary

A novel lattice Boltzmann model simulates reactive ideal gas mixtures, accurately capturing chemical reaction effects on fluid dynamics. This advancement enhances simulations of combustion and other reactive flow phenomena.

Keywords:

Stefan-Maxwell diffusion circular expanding flame detailed chemistry lattice Boltzmann lattice Boltzmann hydrogen air multicomponent lattice Boltzmann reactive lattice Boltzmann

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Area of Science:

Computational Fluid Dynamics
Chemical Kinetics
Thermodynamics

Background:

Existing multi-component lattice Boltzmann models simulate compressible ideal gas mixtures with Stefan-Maxwell diffusion.
These models require enhancements to accurately represent reactive flows and chemical reactions within mixtures.

Purpose of the Study:

To develop a new lattice Boltzmann model for reactive ideal gas mixtures.
To incorporate chemical reaction kinetics and thermodynamics into a compressible lattice Boltzmann framework.

Main Methods:

Extended a multi-component lattice Boltzmann model to include source terms for chemical reactions affecting mixture composition.
Integrated the heat of formation into the energy equation for thermodynamic consistency.
Utilized standard three-dimensional lattices for the simulation.

Main Results:

The model consistently couples mixture composition, momentum, pressure, energy, and enthalpy.
Validated the model using benchmarks such as laminar burning speed in hydrogen-air mixtures and circular expanding premixed flames.

Conclusions:

The new lattice Boltzmann model accurately simulates reactive ideal gas mixtures.
This model provides a thermodynamically consistent approach for modeling energy and temperature changes due to chemical reactions in fluid dynamics simulations.