Kinetic Model of Mixed-Parallel Series-Reaction Network: A Case Study of Peroxide Oxidation of Methane using Cu/Fe-ZSM-5 Catalyst
Authors: *Umo, A.M., Babalola, R., Esio, O.O., Nurudeen, S. And Bassey, E. N.
DOI Info: http://doi.org/10.5281/zenodo.15778278
ABSTRACT
The progress towards the implementation of natural process of converting methane with bio-catalyst to produce methanol at low temperature has inspired investigation of ZSM-5 based catalyst to reproduce the behavior of these biocatalyst. It has recently been discovered that ZSM-5 based catalyst is capable of activating the C-H bond of methane, imitating the Cu and Fe di-nuclear active sites in methane monooxygenases. The oxidation of methane follows many pathways in a mixed-parallel series reaction network forming intermediate products prone to further oxidation. This poor conversion-selectivity relation necessitates the need of mathematical models for optimization and process control. The objective of this study is to develop the kinetic model for the complex reaction network in methane H2O2 oxidation over Cu/Fe-ZSM-5 catalyst. The model was derived by integrating the rate equations of the parallel series reaction network. The best fit rate constants were estimated by minimizing the absolute average deviation (AAD) between the experimental and estimated values of the concentrations of C1 products of peroxide oxidation of methane. The result indicated a minimum of 0.94% and maximum of 13.33% AAD for Cu/Fe(1.2/0.09)-ZSM-5(17), while for Cu/Fe(2/0.1)-ZSM-5(14), 3.84% and 10% were obtained for minimum and maximum AAD respectively. The kinetic model of mixed-parallel series-reaction network developed was able to account for CH3OOH, CH2(OH)2, HCOOH, CH3OH and CO2.
Affiliations: Department of Chemical/Petrochemical Engineering, Akwa Ibom State University, PMB 1167, Ikot Akpaden, Mpat Enin, Nigeria.
Keywords: Partial Oxidation, Conversion, Selectivity, Methane, Rate Constant, Parallel Series Reaction
Published date: 2025/06/30
