Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 22nd May 2019 from 11:00 AM to 1:00 PM (GMT).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.



Multiscale reactor modelling of total pressure effects on complete methane oxidation over Pd/Al2O3

Abstract

A two-dimensional multiscale model is developed for complete methane oxidation in a continuous flow reactor. The model considers mass and heat transfer for a porous alumina supported palladium catalyst coated on a ceramic monolith substrate and the surface kinetics are described by a first-principles microkinetic model for complete methane oxidation over PdO(101). The temperature dependent conversion for a synthetic exhaust gas composition show a delayed ignition but a higher conversion at elevated temperatures when the total pressure is increased from 1 to 10 atm. The simulations reveal a temperature and total pressure dependent operating point where the methane conversion is maximized. Analysis of the kinetics show that the reaction is suppressed by bicarbonates, hydroxyl species and water originating from adsorbed carbon dioxide and water from the gas phase.The reaction order with respect to water and carbon dioxide at 1 atm is -0.94 and -0.99, respectively, and decreases for increasing total pressure. The developed model paves the way for exploring how design parameters and reaction conditions influences the complete methane oxidation reaction.

Back to tab navigation

Supplementary files

Publication details

The article was received on 05 Dec 2018, accepted on 12 May 2019 and first published on 13 May 2019


Article type: Paper
DOI: 10.1039/C8CY02461H
Catal. Sci. Technol., 2019, Accepted Manuscript
  • Open access: Creative Commons BY license
  •   Request permissions

    Multiscale reactor modelling of total pressure effects on complete methane oxidation over Pd/Al2O3

    C. Florén, P. Carlsson, D. Creaser, H. Groenbeck and M. Skoglundh, Catal. Sci. Technol., 2019, Accepted Manuscript , DOI: 10.1039/C8CY02461H

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements