Lattice Boltzmann Simulation of Multicomponent Porous Media Flows With Chemical Reaction

Abstract

Flows with chemical reactions in porous media are fundamental phenomena encountered in many natural, industrial, and scientific areas. For such flows, most existing studies use continuum assumptions and focus on volume-averaged properties on macroscopic scales. Considering the complex porous structures and fluid–solid interactions in realistic situations, this study develops a sophisticated lattice Boltzmann (LB) model for simulating reactive flows in porous media on the pore scale. In the present model, separate LB equations are built for multicomponent flows and chemical species evolutions, source terms are derived for heat and mass transfer, boundary schemes are formulated for surface reaction, and correction terms are introduced for temperature-dependent density. Thus, the present LB model offers a capability to capture pore-scale information of compressible/incompressible fluid motions, homogeneous reaction between miscible fluids, and heterogeneous reaction at the fluid–solid interface in porous media. Different scenarios of density fingering with homogeneous reaction are investigated, with effects of viscosity contrast being clarified. Furthermore, by introducing thermal flows, the solid coke combustion is modeled in porous media. During coke combustion, fluid viscosity is affected by heat and mass transfer, which results in unstable combustion fronts.

Numerical Simulation of Chemical Reactions’ Influence on Convective Heat Transfer in Hydrothermal Circulation Reaction Zones

“…Solute A dissolved into fluid 2 through a partially miscible upper boundary, without any reverse mass transfer. The dissolved A and B reacted to generate solute C[16]. As shown in Figure4, as fluid 1 infiltrated and solute A reacted with solute B to form solute C, the simulated results of the average within the domain resembled the distribution observed in the study.…”

“…Solute A dissolved into fluid 2 through a partially miscible upper boundary, without any reverse mass transfer. The dissolved A and B reacted to generate solute C [16]. As shown in Figure 4,…”

Perspectives on manufacturing simulations of Li-S battery cathodes

“…The mesostructural heterogeneities formed by differences in particle size and shapes will also be important as explained earlier, where the disposition of the C/S particles with respect to the electrolyte infiltration direction will highly affect the pore saturation dynamics. Additionally, in order to extend the discussion into some further capabilities of the LBM model that could be of potential interest for LSBs, we note that, within the LBM model, it is possible to include reactive flow simulations [103,104]. Concretely, the LBM is not only useful for analyzing the permeability of porous materials and the process of electrolyte infiltration itself, but it could also be used to simulate the operation of an LSB electrode.…”

Study of CO2 desublimation during cryogenic carbon capture using the lattice Boltzmann method

“…As a powerful pore-scale solver, the lattice Boltzmann (LB) method has been applied widely to study complex fluid flows in porous structures over the past three decades (Li et al 2016;Lei, Luo & Wu 2019;Lei & Luo 2021a;Chen et al 2022). Accordingly, LB simulations were reported to investigate separately the physical processes that are encountered in CO 2 desublimation, including the unsteady fluid flow, the heat and mass transfer, and the active gas-solid interface for desublimation.…”

“…As a powerful pore-scale solver, the lattice Boltzmann (LB) method has been applied widely to study complex fluid flows in porous structures over the past three decades (Li et al. 2016; Lei, Luo & Wu 2019; Lei & Luo 2021 a ; Chen et al. 2022).…”