Mathematical modeling of the electrochemical degradation of 2-chlorophenol using an electrochemical flow reactor equipped with BDD electrodes

Abstract

The objective of this work was to develop a mathematical model of an electrochemical flow reactor for the degradation of 2-chlorophenol. The reactor operates in batch recirculation and undivided mode under mass transport control and under galvanostatic conditions. The mathematical model proposed here was simulated on COMSOL Multiphysic® 5.3 software (involving the continuity and Navier-Stokes equation in a laminar regime, and the diffusion-convection equation with reaction term) interacting with the MATLAB® version R 2017a software (continuous stirred tank). The electrolysis process was carried out at a current density of 0.14 A m−2, a liquid flow rate of 1 L min−1 and pH = 7.3. The main results show that the mathematical model proposed here is in a very good agreement with the experimental study (correlation coefficient of 0.9917 and a reduced root-mean-square error of 0.4041). The final concentration of 2-chlorophenol estimated by the mathematical model was 0.0013 mol m−3, while the experimental concentration reached was 0.0001 mol m−3, confirming the predictive capacity of the mathematical model, as well as the efficiency of the electrochemical process implemented.