Experimental work and kinetic modelling of CO2 hydrogenation to methanol on CeO2 supported In2O3 catalyst

This work investigates the kinetics of CO2 hydrogenation to methanol on In2O3/ CeO2 catalyst based on a dual-site Langmuir-Hinshelwood mechanism. Such studies on reaction kinetics and mechanism using In2O3 catalyst, which possesses high activity, selectivity and stability are limited. Thirteen sets...

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Bibliographic Details
Published in:Applied catalysis. A, General General, 2022-09, Vol.646, p.118885, Article 118885
Main Authors: Ng, Wei Lin, Sripada, Pramod, Biswas, Saheli, Bhattacharya, Sankar
Format: Article
Language:English
Subjects:
Carbon dioxide
Catalysts
Cerium oxides
Hydrogenation
Indium oxides
Mathematical models
Methanol
Modelling
Optimization
Parameter identification
Reaction kinetics
Reaction mechanisms
Regression analysis
Selectivity
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Summary:This work investigates the kinetics of CO2 hydrogenation to methanol on In2O3/ CeO2 catalyst based on a dual-site Langmuir-Hinshelwood mechanism. Such studies on reaction kinetics and mechanism using In2O3 catalyst, which possesses high activity, selectivity and stability are limited. Thirteen sets of experimental data at steady-state using In2O3/ CeO2 catalyst with varying temperature (200–300 °C), pressure (1–50 bars), gas hourly space velocity (5,893 hr−1 −58,938 hr−1) were analysed. The experimental data were modelled to determine the rate-determining step and the rate expression using the Most-Abundant Reaction Intermediate (MARI) analysis. The reaction mechanism for this catalyst was proposed based on a reported DFT study on In2O3. An optimisation procedure was performed to identify new kinetic parameters using MATLAB-based code with nonlinear regression analysis. A comparison of estimated kinetic parameters was made with reported values. The derived kinetic model can be applied for reactor modelling in the future for scaling up purposes.
ISSN:0926-860X
1873-3875
DOI:10.1016/j.apcata.2022.118885