Numerical Investigations Applied to Chemical Reaction-Diffusion Cycles Induced by Temperature Gradients.

Autor: LOUKILI, Mohammed, PLASSON, Raphael, JULLIEN, Ludovic
Předmět:
Zdroj: Interdisciplinary Conference on Mechanics, Computers & Electrics (ICMECE); Oct2022, p72-77, 6p
Abstrakt: This work revolves around the analytical and numerical investigation applied to a general chemical reactiondiffusion system. The aim is to shed light on the phenomenology associated with the onset of a steady cycle of chemical reactiondiffusion, sustained in a nonequilibrium state by an externally imposed temperature gradient, leading to continuous transformation fluxes occurring in opposite direction in spatially separated regions. The corresponding reaction-diffusion equations result from the coupling of the equation describing first order chemical reactions--whose kinetics follow the Arrhenius' law--with chemical diffusion, when a temperature gradient is imposed as a form of Heaviside. An analytical study was first performed in the case of a simple two-compartment model. This model was then compared with numerical modeling of reactiondiffusion system using XMDS2 open source code. A validation test could show a good agreement between the analytical and the numerical approaches. Furthermore, the effect of different thermodynamic parameters associated with the problem was assessed, focusing on the intensity and spatial distribution of the induced chemical fluxes. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index