Plasma-induced catalysis: towards a numerical approach

Li, Hai Jing; Toschi, Federico

doi:10.1098/rsta.2019.0396

Cited by 4 publications

(3 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…where C ion , J ion and u ion are the concentration, flux and velocity of ions. The detailed modelling and validation information can be found in our previous study [38].…”

Section: )mentioning

confidence: 99%

“…Wang & Kang [35] and Zhang & Wang [36] and Yoshida et al [37] simulated non-reactive electro-kinetic fluids in simple geometries with LBM. In our previous study [38], we presented an LBM model for simplified reactive electro-kinetic flow in dielectric porous media. The model computes the fluid velocity, density, concentration and electric fields of the flow in a dielectric packed-bed reactor.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Lattice Boltzmann method investigation of a reactive electro-kinetic flow in porous media: towards a phenomenological model

Clercx

Toschi

2021

Phil. Trans. R. Soc. A.

Self Cite

View full text Add to dashboard Cite

A model based on the Lattice Boltzmann method is developed to study the flow of reactive electro-kinetic fluids in porous media. The momentum, concentration and electric/potential fields are simulated via the Navier–Stokes, advection–diffusion/Nernst–Planck and Poisson equations, respectively. With this model, the total density and velocity fields, the concentration of reactants and reaction products, including neutral and ionized species, the electric potential and the interaction forces between the fields can be studied, and thus we provide an insight into the interplay between chemistry, flow and the geometry of the porous medium. The results show that the conversion efficiency of the reaction can be strongly influenced by the fluid velocity, reactant concentration and by porosity of the porous medium. The fluid velocity determines how long the reactants stay in the reaction areas, the reactant concentration controls the amount of the reaction material and with different dielectric constant, the porous medium can distort the electric field differently. All these factors make the reaction conversion efficiency display a non-trivial and non-monotonic behaviour as a function of the flow and reaction parameters. To better illustrate the dependence of the reaction conversion efficiency on the control parameters, based on the input from a number of numerical investigations, we developed a phenomenological model of the reactor. This model is capable of capturing the main features of the causal relationship between the performance of the reactor and the main test parameters. Using this model, one could optimize the choice of reaction and flow parameters in order to improve the performance of the reactor and achieve higher production rates. This article is part of the theme issue ‘Progress in mesoscale methods for fluid dynamics simulation’.

show abstract

“…where C ion , J ion and u ion are the concentration, flux and velocity of ions. The detailed modelling and validation information can be found in our previous study [38].…”

Section: )mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Lattice Boltzmann method investigation of a reactive electro-kinetic flow in porous media: towards a phenomenological model

Clercx

Toschi

2021

Phil. Trans. R. Soc. A.

Self Cite

View full text Add to dashboard Cite

show abstract

“…To include the influence of the geometry on the reaction, Lu et al 21 simulated a surface reaction in a packed-bed reactor with direct numerical simulation (DNS), and Laer et al 22 studied a packed-bed DBD reactor with simplified 2D geometries in COMSOL. In our former work, 23 we developed an LBM model on a simplified dissociation reaction in a packed-bed reactor. It provides us the potential to study the distributions of the fluid density, velocity, and electric field, and monitor the reaction process in complex geometries.…”

mentioning

confidence: 99%

LBM Investigations on a Chain Reaction in a Reactive Electro-Kinetic Flow in Porous Material

Clercx

Toschi

2021

J. Electrochem. Soc.

Self Cite

View full text Add to dashboard Cite

A 2D model is developed for a simplified reactive electro-kinetic fluid in dielectric porous media based on the Lattice Boltzmann Method (LBM). The momentum, concentration and electric fields are simulated via the Navier-Stokes, advection-diffusion/Nernst-Planck and Poisson equations, respectively. With this model, the density, velocity, concentration of the chemical constituents and electric fields, and the interaction between these fields, can be studied. This allows us to get an insight into the interplay between chemistry and fluid physics in the porous medium. In this work, two types of simplified reactions are studied, namely, surface reactions and dissociation reactions. The results show that the conversion efficiency of both reactions can be strongly influenced by the flow and reactor packing parameters such as the fluid velocity, reactant concentration and the porosity of the porous medium. These different effects make the reaction conversion efficiency display a non-trivial and non-monotonic behavior as a function of the flow and reaction parameters. An analytical model of a simplified chain reaction consisting of both reactions is further studied in this electro-kinetic fluid system. Using this model, one could optimize the choice of the flow and reaction parameters to improve the performance of the reactions and achieve higher production rates.

show abstract

Electrochemical transport modelling and open-source simulation of pore-scale solid–liquid systems

Barnett,

Municchi,

King

et al. 2023

Engineering with Computers

View full text Add to dashboard Cite

The modelling of electrokinetic flows is a critical aspect spanning many industrial applications and research fields. This has introduced great demand in flexible numerical solvers to describe these flows. The underlying phenomena are microscopic, non-linear, and often involving multiple domains. Therefore often model assumptions and several numerical approximations are introduced to simplify the solution. In this work we present a multi-domain multi-species electrokinetic flow model including complex interface and bulk reactions. After a dimensional analysis and an overview of some limiting regimes, we present a set of general-purpose finite-volume solvers, based on OpenFOAM® , capable of describing an arbitrary number of electrochemical species over multiple interacting (solid or fluid) domains (Icardi and Barnett in F Municchi spnpFoam, 2021. https://doi.org/10.5281/zenodo.4973896). We provide a verification of the computational approach for several cases involving electrokinetic flows, reactions between species, and complex geometries. We first present three one-dimensional verification test-cases, and then show the capability of the solver to tackle two- and three-dimensional electrically driven flows and ionic transport in random porous structures. The purpose of this work is to lay the foundation of a general-purpose open-source flexible modelling tool for problems in electrochemistry and electrokinetics at different scales.

show abstract

Plasma-induced catalysis: towards a numerical approach

Cited by 4 publications

References 31 publications

Lattice Boltzmann method investigation of a reactive electro-kinetic flow in porous media: towards a phenomenological model

Lattice Boltzmann method investigation of a reactive electro-kinetic flow in porous media: towards a phenomenological model

LBM Investigations on a Chain Reaction in a Reactive Electro-Kinetic Flow in Porous Material

Electrochemical transport modelling and open-source simulation of pore-scale solid–liquid systems

Contact Info

Product

Resources

About