IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v293y2024ics036054422400478x.html
   My bibliography  Save this article

NOx formation mechanism of plasma assisted ammonia combustion: A reactive molecular dynamics study

Author

Listed:
  • Wang, Yang
  • Sun, Jingyun
  • Liu, Qianqian
  • Chen, Longwei
  • Gu, Mingyan
  • Liu, Dongming
  • Huang, Xiangyong
  • Wang, Shuang

Abstract

The effects of ionization ratio (α) on the reaction rate of NH3 combustion and the formation characteristics of NOx are studied by ReaxFF MD, and the formation mechanism of NOX in plasma assisted NH3 combustion are analyzed from the molecular level. It is found that the maximum growth rate of NOX gradually slows down with increasing reaction system temperature. The plasma promotes NOX formation at the initial stage of NH3 combustion, and when the nitrogen-containing radicals are consumed, the non-nitrogen-containing components will inhibit NO formation. When the α is 25%, the NH3 reaction rate reduces slightly. This is attributed that the proportion of NH2/H is the larger at this lower α. The plasma effect at lower α = 25% enhances the N2 formation path from NH3 by the primary reaction pathway of NH3→NH2→NH→NNH→N2, and the intermediate NH consumes some of the NO to form N2 by NH + NO↔HN2O and HN2O↔N2+OH. As α increases to 50%, the plasma leads to the direct generation of NO from NH by NH + OH↔H2NO and H2NO + O↔H2O + NO, which makes the maximum of NO increase.

Suggested Citation

  • Wang, Yang & Sun, Jingyun & Liu, Qianqian & Chen, Longwei & Gu, Mingyan & Liu, Dongming & Huang, Xiangyong & Wang, Shuang, 2024. "NOx formation mechanism of plasma assisted ammonia combustion: A reactive molecular dynamics study," Energy, Elsevier, vol. 293(C).
    • Handle: RePEc:eee:energy:v:293:y:2024:i:c:s036054422400478x
    DOI: 10.1016/j.energy.2024.130706
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S036054422400478X
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2024.130706?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:energy:v:293:y:2024:i:c:s036054422400478x. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/energy .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.