Resolved-Pore Simulation of CO Oxidation on Rh/Al2O3 in a Catalyst Layer
Abstract
:1. Introduction
2. Materials and Methods
2.1. Catalyst Reconstruction
2.2. Mesh Generation
2.3. Reaction Kinetics
2.4. Governing Equations
2.5. Computational Parameters
2.5.1. Catalyst Construction Parameters
2.5.2. Mesh Parameters
2.5.3. Simulation Parameters
3. Results
3.1. Reconstructed Catalyst Properties and Validation
3.2. Splines Accuracy
3.3. CFD Results
4. Conclusions
Acknowledgments
Author Contributions
Conflicts of Interest
References
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Reaction | A (cm,mol,s) | β | Ea (kJ/mol) | |
---|---|---|---|---|
R1 | O2 + 2Rh(s) → 2O(s) | 1.00 | ||
R2 | CO2 + Rh(s) → CO2(s) | 4.80 | ||
R3 | CO + Rh(s) → CO(s) | 4.971 | ||
R4 | 2O(s) → O2 + 2Rh(s) | 5.329 × 1022 | −0.137 | 387 |
R5 | CO(s) → CO + Rh(s) | 1.300 × 1013 | 0.295 | 134 |
R6 | CO2(s) → CO2 + Rh(s) | 3.920 × 1011 | 0.315 | 20.51 |
R7 | CO2(s) + Rh(s) → CO(s) + O(s) | 5.735 × 1022 | −0.175 | 106.49 |
R8 | CO(s) + O(s) → CO2(s) + Rh(s) | 6.183 × 1022 | 0.034 | 129.98 |
R9 | CO(s) + Rh(s) → C(s) + O(s) | 6.290 × 1021 | 0.000 | 174.76 |
R10 | C(s) + O(s) → CO(s) + Rh(s) | 1.173 × 1022 | 0.000 | 92.14 |
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Partopour, B.; Dixon, A.G. Resolved-Pore Simulation of CO Oxidation on Rh/Al2O3 in a Catalyst Layer. ChemEngineering 2018, 2, 2. https://doi.org/10.3390/chemengineering2010002
Partopour B, Dixon AG. Resolved-Pore Simulation of CO Oxidation on Rh/Al2O3 in a Catalyst Layer. ChemEngineering. 2018; 2(1):2. https://doi.org/10.3390/chemengineering2010002
Chicago/Turabian StylePartopour, Behnam, and Anthony G. Dixon. 2018. "Resolved-Pore Simulation of CO Oxidation on Rh/Al2O3 in a Catalyst Layer" ChemEngineering 2, no. 1: 2. https://doi.org/10.3390/chemengineering2010002