Numerical Modeling for the Photocatalytic Degradation of Methyl Orange from Aqueous Solution using Cellulose/Zinc Oxide Hybrid Aerogel: Comparison with Experimental Data

In the present study, the photodegradation performance of Methyl Orange (MO) by CA/ZnO hybrid aerogel was successfully predicted through numerical and mathematical modeling. A mathematic model and numerical simulation were developed via MATLAB and COMSOL Multiphysics software based on finite difference method (FDM) and finite element method (FEM), respectively. The experimental data were derived from the experimental tests for the photocatalytic degradation efficiency of MO from an aqueous solution in order to validate the simulation. Results demonstrated that there is a good agreement between experimental data and predicted numerical values using COMSOL and mathematical simulation. Also, the effect of diffusion coefficient on the photodegradation efficiency of different dyes such Rhodamine B (RhB) and Methylene Blue (MB) were investigated using FEM method. The FEM numerical results showed that the photodegradation efficiency of MO, MB and RhB dyes, were 94.71%, 92.21% and 90.36%, respectively. The outcomes can be employed as predictive tools for planning the photodegradation efficiency of various pollutants. [GRAPHICS] .

Automated summary

The present study successfully predicted the photodegradation performance of MO by CA/ZnO hybrid aerogel through numerical and mathematical modeling, with a good agreement between experimental data and predicted numerical values. The effect of diffusion coefficient on the photodegradation efficiency of different dyes was also investigated using the FEM method, showing high degradation efficiency for MO, MB, and RhB.