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

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 MultiphysicA (R) 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 MATLABA (R) 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.