IDEAS home Printed from https://ideas.repec.org/a/gam/jeners/v12y2019i23p4422-d289367.html
   My bibliography  Save this article

Algorithmic Analysis of Chemical Dynamics of the Autoignition of NH 3 –H 2 O 2 /Air Mixtures

Author

Listed:
  • Ahmed T. Khalil

    (Department of Mechanical Engineering, Khalifa University of Science and Technology, Abu Dhabi 127788, UAE
    Research and Innovation Center on CO 2 and H 2 (RICH), Khalifa University of Science and Technology, P.O. Box 127788, Abu Dhabi, UAE)

  • Dimitris M. Manias

    (Department of Mechanics, School of Applied Mathematics and Physical Sciences, National Technical University of Athens, 157 73 Athens, Greece)

  • Efstathios-Al. Tingas

    (Perth College, University of the Highlands and Islands, (UHI), Perth PH1 2NX, UK)

  • Dimitrios C. Kyritsis

    (Department of Mechanical Engineering, Khalifa University of Science and Technology, Abu Dhabi 127788, UAE
    Research and Innovation Center on CO 2 and H 2 (RICH), Khalifa University of Science and Technology, P.O. Box 127788, Abu Dhabi, UAE)

  • Dimitris A. Goussis

    (Department of Mechanical Engineering, Khalifa University of Science and Technology, Abu Dhabi 127788, UAE
    Research and Innovation Center on CO 2 and H 2 (RICH), Khalifa University of Science and Technology, P.O. Box 127788, Abu Dhabi, UAE)

Abstract

The dynamics of a homogeneous adiabatic autoignition of an ammonia/air mixture at constant volume was studied, using the algorithmic tools of Computational Singular Perturbation. Since ammonia combustion is characterized by both unrealistically long ignition delays and elevated NO x emissions, the time frame of action of the modes that are responsible for ignition was analyzed by calculating the developing time scales throughout the process and by studying their possible relation to NO x emissions. The reactions that support or oppose the explosive time scale were identified, along with the variables that are related the most to the dynamics that drive the system to an explosion. It is shown that reaction H 2 O 2 (+M) → OH + OH (+M) is the one contributing the most to the time scale that characterizes ignition and that its reactant H 2 O 2 is the species related the most to this time scale. These findings suggested that addition of H 2 O 2 in the initial mixture will influence strongly the evolution of the process. It was shown that ignition of pure ammonia advanced as a slow thermal explosion with very limited chemical runaway. The ignition delay could be reduced by more than two orders of magnitude through H 2 O 2 addition, which causes only a minor increase in NO x emissions.

Suggested Citation

  • Ahmed T. Khalil & Dimitris M. Manias & Efstathios-Al. Tingas & Dimitrios C. Kyritsis & Dimitris A. Goussis, 2019. "Algorithmic Analysis of Chemical Dynamics of the Autoignition of NH 3 –H 2 O 2 /Air Mixtures," Energies, MDPI, vol. 12(23), pages 1-14, November.
    • Handle: RePEc:gam:jeners:v:12:y:2019:i:23:p:4422-:d:289367
    as

    Download full text from publisher

    File URL: https://www.mdpi.com/1996-1073/12/23/4422/pdf
    Download Restriction: no
    File URL: https://www.mdpi.com/1996-1073/12/23/4422/
    Download Restriction: no
    ---><---

    References listed on IDEAS

    as
    1. Li, Jun & Huang, Hongyu & Kobayashi, Noriyuki & He, Zhaohong & Osaka, Yugo & Zeng, Tao, 2015. "Numerical study on effect of oxygen content in combustion air on ammonia combustion," Energy, Elsevier, vol. 93(P2), pages 2053-2068.
    2. Ryu, Kyunghyun & Zacharakis-Jutz, George E. & Kong, Song-Charng, 2014. "Effects of gaseous ammonia direct injection on performance characteristics of a spark-ignition engine," Applied Energy, Elsevier, vol. 116(C), pages 206-215.
    3. Li, Jun & Huang, Hongyu & Kobayashi, Noriyuki & Wang, Chenguang & Yuan, Haoran, 2017. "Numerical study on laminar burning velocity and ignition delay time of ammonia flame with hydrogen addition," Energy, Elsevier, vol. 126(C), pages 796-809.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Muhammad Aziz & Agung Tri Wijayanta & Asep Bayu Dani Nandiyanto, 2020. "Ammonia as Effective Hydrogen Storage: A Review on Production, Storage and Utilization," Energies, MDPI, vol. 13(12), pages 1-25, June.
    2. Chen, Danan & Li, Jun & Li, Xing & Deng, Lisheng & He, Zhaohong & Huang, Hongyu & Kobayashi, Noriyuki, 2023. "Study on combustion characteristics of hydrogen addition on ammonia flame at a porous burner," Energy, Elsevier, vol. 263(PA).
    3. Lu, Zhen & Ye, Jianpeng & Gui, Yong & Lu, Tianlong & Shi, Lei & An, Yanzhao & Wang, Tianyou, 2023. "Numerical study of the compression ignition of ammonia in a two-stroke marine engine by using HTCGR strategy," Energy, Elsevier, vol. 276(C).
    4. Li, Yanchao & Bi, Mingshu & Li, Bei & Zhou, Yonghao & Huang, Lei & Gao, Wei, 2018. "Explosion hazard evaluation of renewable hydrogen/ammonia/air fuels," Energy, Elsevier, vol. 159(C), pages 252-263.
    5. Chai, Wai Siong & Bao, Yulei & Jin, Pengfei & Tang, Guang & Zhou, Lei, 2021. "A review on ammonia, ammonia-hydrogen and ammonia-methane fuels," Renewable and Sustainable Energy Reviews, Elsevier, vol. 147(C).
    6. Li, Jun & Huang, Hongyu & Deng, Lisheng & He, Zhaohong & Osaka, Yugo & Kobayashi, Noriyuki, 2019. "Effect of hydrogen addition on combustion and heat release characteristics of ammonia flame," Energy, Elsevier, vol. 175(C), pages 604-617.
    7. Li, Jun & Huang, Hongyu & Kobayashi, Noriyuki & Wang, Chenguang & Yuan, Haoran, 2017. "Numerical study on laminar burning velocity and ignition delay time of ammonia flame with hydrogen addition," Energy, Elsevier, vol. 126(C), pages 796-809.
    8. Cai, Tao & Zhao, Dan, 2022. "Enhancing and assessing ammonia-air combustion performance by blending with dimethyl ether," Renewable and Sustainable Energy Reviews, Elsevier, vol. 156(C).
    9. Cai, Tao & Zhao, Dan & Chan, Siew Hwa & Shahsavari, Mohammad, 2022. "Tailoring reduced mechanisms for predicting flame propagation and ignition characteristics in ammonia and ammonia/hydrogen mixtures," Energy, Elsevier, vol. 260(C).
    10. Li, Jun & Huang, Hongyu & Kobayashi, Noriyuki & He, Zhaohong & Osaka, Yugo & Zeng, Tao, 2015. "Numerical study on effect of oxygen content in combustion air on ammonia combustion," Energy, Elsevier, vol. 93(P2), pages 2053-2068.
    11. Joanna Jójka & Rafał Ślefarski, 2021. "Emission Characteristics for Swirl Methane–Air Premixed Flames with Ammonia Addition," Energies, MDPI, vol. 14(3), pages 1-19, January.
    12. Liu, Shang & Lin, Zhelong & Zhang, Hao & Lei, Nuo & Qi, Yunliang & Wang, Zhi, 2023. "Impact of ammonia addition on knock resistance and combustion performance in a gasoline engine with high compression ratio," Energy, Elsevier, vol. 262(PA).
    13. Rimkus, Alfredas & Matijošius, Jonas & Bogdevičius, Marijonas & Bereczky, Ákos & Török, Ádám, 2018. "An investigation of the efficiency of using O2 and H2 (hydrooxile gas -HHO) gas additives in a ci engine operating on diesel fuel and biodiesel," Energy, Elsevier, vol. 152(C), pages 640-651.
    14. Yapicioglu, Arda & Dincer, Ibrahim, 2019. "A review on clean ammonia as a potential fuel for power generators," Renewable and Sustainable Energy Reviews, Elsevier, vol. 103(C), pages 96-108.
    15. Woo, Mino & Choi, Byung Chul & Ghoniem, Ahmed F., 2016. "Experimental and numerical studies on NOx emission characteristics in laminar non-premixed jet flames of ammonia-containing methane fuel with oxygen/nitrogen oxidizer," Energy, Elsevier, vol. 114(C), pages 961-972.
    16. Lianmei Guo & Jianjun Zhu & Laibin Fu & Zhixin Li & Fanfan Liu & Zilin Wang & Xiangyang Liu & Qinqiang Dong, 2023. "Effects of Pre-Injection Strategy on Combustion Characteristics of Ammonia/Diesel Dual-Fuel Compression Ignition Mode," Energies, MDPI, vol. 16(23), pages 1-16, November.
    17. Wijayanta, Agung Tri & Aziz, Muhammad, 2019. "Ammonia production from algae via integrated hydrothermal gasification, chemical looping, N2 production, and NH3 synthesis," Energy, Elsevier, vol. 174(C), pages 331-338.
    18. Namsu Kim & Minjung Lee & Juwon Park & Jeongje Park & Taesong Lee, 2022. "A Comparative Study of NO x Emission Characteristics in a Fuel Staging and Air Staging Combustor Fueled with Partially Cracked Ammonia," Energies, MDPI, vol. 15(24), pages 1-15, December.
    19. Christine Mounaïm-Rousselle & Pierre Bréquigny & Clément Dumand & Sébastien Houillé, 2021. "Operating Limits for Ammonia Fuel Spark-Ignition Engine," Energies, MDPI, vol. 14(14), pages 1-13, July.
    20. Tay, Kun Lin & Yang, Wenming & Li, Jing & Zhou, Dezhi & Yu, Wenbin & Zhao, Feiyang & Chou, Siaw Kiang & Mohan, Balaji, 2017. "Numerical investigation on the combustion and emissions of a kerosene-diesel fueled compression ignition engine assisted by ammonia fumigation," Applied Energy, Elsevier, vol. 204(C), pages 1476-1488.

    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:gam:jeners:v:12:y:2019:i:23:p:4422-:d:289367. 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.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with 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: MDPI Indexing Manager (email available below). General contact details of provider: https://www.mdpi.com .

    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.