Multi-physics modelling and simulation approach with experimental validation for electrocatalytic filtration process: Part A. Optimization of electrodeposition of metal oxides on carbon membranes

Abstract

• The model helped in a fast and accurate determination of optimum parameters for uniform electrodeposition results. • The model allowed the control and manipulation of deposition parameters. • RMSE values described good agreement between the model and the experimental studies. • The model gave a generalization of the application to various metal oxides. The integration of metal oxidized catalysts on conductive membrane substrates for electrochemical filtration process is an ingenious way to improve their water treatment performance. However, the determination of the optimum parameters for a uniform distribution of the metal particles over the membrane surface conventionally necessitates multiple experiments and is even more difficult to attain uniformity when coating onto non-flat surface geometries. In this work part A of the study, based on finite element method (FEM) in combination with error control and adaptive meshing using the UMFPACK solver of COMSOL Multi-physics software, we developed a model which through simulations helped in a fast and accurate determination of optimum parameters for uniform electrodeposition results of various metals onto tubular geometry coal-based carbon membrane. Experimental studies were also conducted in order to demonstrate the accuracy of the model and the Pearson's correlation coefficient and the root-mean-square error (RMSE) obtained in this work gave values of [0.88, 0.99] and [0.01, 0.1] respectively, confirming the agreement of the model data with experimental data. The difference in optimum parameters observed for each system studied is another evidence that the model allows the control and manipulation of parameters regardless of the depositing species which marks a significant step forward accurate prediction of electrodeposition of catalysts on carbon membranes for electrocatalytic wastewater treatment.