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

• Published in: Journal of flow chemistry 2019-03, Vol.9 (1), p.59-71
• Main Authors: Regalado-Méndez, Alejandro, Cruz-López, Abril, Mentado-Morales, Juan, Cordero, Mario E., Zárate, Luis G., Cruz-Díaz, Martín R., Fontana, Gianpaolo, Peralta-Reyes, Ever
• Format: Article
• Language: English
• Subjects: Chemistry; Chemistry and Materials Science; Chemistry/Food Science; Green Chemistry; Industrial Chemistry/Chemical Engineering; Inorganic Chemistry; Nanochemistry; Organic Chemistry
• ISSN: 2062-249X; 2063-0212
• DOI: 10.1007/s41981-018-00027-4

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. Graphical abstract ᅟ