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

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Abstract

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.

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Authors and Affiliations

  1. Department of Polymer Engineering, School of Chemical Engineering, College of Engineering, University of Tehran, 11155-4563, Tehran, Iran

    Maryam Hasanpour & Siamak Motahari

  2. State Key Laboratory of Multiphase Flow in Power Engineering, International Research Center for Renewable Energy, Xi’an Jiaotong University, Xi’an, 710049, China

    Dengwei Jing

  3. Department of Mechanical Engineering, Ferdowsi University of Mashhad, Mashhad, 91775-1111, Iran

    Mohammad Hatami

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  1. Maryam Hasanpour
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  2. Siamak Motahari
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  4. Mohammad Hatami
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Correspondence to Siamak Motahari.

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Hasanpour, M., Motahari, S., Jing, D. et al. Numerical Modeling for the Photocatalytic Degradation of Methyl Orange from Aqueous Solution using Cellulose/Zinc Oxide Hybrid Aerogel: Comparison with Experimental Data. Top Catal (2021). https://doi.org/10.1007/s11244-021-01451-y

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