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Comparison and reduction of the chemical kinetic mechanisms proposed for thermal partial oxidation of methane (TPOX) in porous media

Fotovat, F ; Sharif University of Technology | 2021

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  1. Type of Document: Article
  2. DOI: 10.1016/j.ijhydene.2021.03.098
  3. Publisher: Elsevier Ltd , 2021
  4. Abstract:
  5. The effectiveness and reducibility of the methane combustion kinetic mechanisms were examined for the TPOX process in a porous medium. To this end, TPOX was successfully simulated using ANSYS CHEMKIN-Pro through a reactor network model composed of perfectly stirred and honeycomb-monolith reactors. The efficacy of six chemical kinetic mechanisms was compared for the equivalence ratios (ERs) ranging from 2.4 to 2.6 with a constant thermal load of 1540 kW/m2. This comparison revealed that Konnov was the most successful mechanism in the prediction of the H2 and CO mole fractions. This mechanism along with the GRI-3.0 and USC-Mech 2.0 mechanisms were then reduced by the direct relation graph with error propagation (DRGEPSA) followed by the full species sensitivity analysis (FSSA). This approach reduced the number of species from 119 to 29 for the Konnov mechanism, from 53 to 23 for the GRI 3.0 mechanism, and from 111 to 34 for the USC-Mech 2.0 mechanism. © 2021 Hydrogen Energy Publications LLC
  6. Keywords:
  7. Kinetics ; Methane ; Reduction ; Sensitivity analysis ; % reductions ; Chemical kinetic mechanism ; Combustion kinetics ; Mechanism reduction ; Methane combustion ; Partial oxidations ; Partial oxidations of methane ; Porous medium ; Syn gas ; Thermal ; Porous materials
  8. Source: International Journal of Hydrogen Energy ; Volume 46, Issue 37 , 2021 , Pages 19312-19322 ; 03603199 (ISSN)
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S0360319921010090