Consistent lattice Boltzmann model for reactive mixtures

Abstract

A new lattice Boltzmann model (LBM) for chemically reactive mixtures is presented. The approach capitalizes on the recently introduced thermodynamically consistent LBM for multicomponent mixtures of ideal gases. Similar to the non-reactive case, the present LBM features Stefan–Maxwell diffusion of chemical species and a fully on-lattice mean-field realization of the momentum and energy of the flow. Besides introducing the reaction mechanism into the kinetic equations for the species, the proposed LBM also features a new realization of the compressible flow by using a concept of extended equilibrium on a standard lattice in three dimensions. The full thermodynamic consistency of the original non-reactive multicomponent LBM enables us to extend the temperature dynamics to the reactive mixtures by merely including the enthalpy of formation in addition to the sensible energy considered previously. Furthermore, we describe in detail the boundary conditions to be used for reactive flows of practical interest. The model is validated against a direct numerical simulation of various burning regimes of a hydrogen/air mixture in a microchannel, in two and three dimensions. Excellent comparison in these demanding benchmarks indicates that the proposed LBM can be a valuable and universal model for complex reactive flows.

Lattice Boltzmann modeling and simulation of velocity and concentration slip effects on the catalytic reaction rate of strongly nonequimolar reactions in microflows

“…The more advanced multicomponent models based on the Maxwell-Stefan diffusion model [49,57] could be used to describe other complicated phenomena such as countergradient diffusion or osmotic diffusion. However, such phenomena are not relevant in the current isothermal catalytic channel-flow simulations.…”

“…The non-passive scalar approaches for the simulation of gas mixture flows can be categorized into three groups: models based on equilibrium function modification [37][38][39][40], models based on forcing terms [41][42][43], and multispeed models [44,45]. Recently, new models have been proposed for binary mixtures [46] and multicomponent gas mixtures [47], with the latter further extended to thermal and gas-phase reactive flows [48,49].…”

Lattice-Boltzmann modeling of the quiet and unstable PRECCINSTA burner modes

“…Realizing the advantages of such a framework, different groups have recently undertaken major steps towards Lattice-Boltzmann modelling of reacting flows [18][19][20][21][22][23][24][25], with a clear acceleration in recent years. Among the promising methods is the Hybrid compressible Lattice-Boltzmann method [21,22], which allows tackling flows with an arbitrary equation of state and transport models in a straightforward way.…”

Toward pore-scale simulation of combustion in porous media using a low-Mach hybrid lattice Boltzmann/finite-difference solver

“…To the authors' knowledge, apart from Ref. 18 where the authors model flame propagation in straight channels and Ref. 19 where authors discuss specifically coal combustion, all studies targeting combustion applications in porous media and configurations dominated by flame/wall interactions have been carried out using classical, discrete solvers for the Navier-Stokes-Fourier equations, coupled to balance equations for the individual species.…”

“…Following up on the same idea, we recently proposed an algorithm for low-Mach thermo-compressible flows based on the lattice Boltzmann method. [24][25][26] Different from other LBM approaches proposed in recent years for combustion simulation, 18,19,27 this scheme is specifically tailored for the low-Mach regime. While this model has been successfully used for large-eddy simulations (LES) of flames in complex geometries, in particular, swirl burners, 28 detailed interactions between flame fronts and walls have not been considered in detail up until now, since they did not play a central role for the considered systems.…”