LBM for cyclic voltammetry of electrochemically mediated enzyme reactions and Rayleigh-Bénard convection in electrochemical reactors

Abstract

A few of the applications of the Lattice Boltzmann Method have been used to model the complex bioelectrochemical phenomena presented here; cyclic voltammetry of electrically assisted enzyme reactions for one instance, and complex chemical reactions with simultaneous momentum, heat and mass transfer as another example. In the first case, we reproduce experimental data and predict new results (not feasible of being obtained by other numerical methods); the evolution of the diffusion boundary layer, which is important information from the numerical viewpoint to design reactors. As second, our model of non isothermal electrochemical enzyme reactor with a complex chemical-thermohydrodynamics involves an enzyme reaction taking place over two parallel rectangular enzyme immobilized electrodes, within a Rayleigh-Benard convection system, a multifaceted subject not yet studied simultaneously. Realistic velocity, temperature, and concentration profiles as well as the corresponding Faradaic currents for different geometries and heating settings are provided, showing the goodness of our approach.