IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v43y2012i1p19-29.html
   My bibliography  Save this article

Validation and analysis of detailed kinetic models for ethylene combustion

Author

Listed:
  • Xu, Chaoqi
  • Konnov, Alexander A.

Abstract

Present work aims at evaluation of contemporary comprehensive detailed kinetic mechanisms for ethylene combustion, including the Konnov mechanism, LLNL nButane mechanism, San Diego (UCSD) mechanism and USC mechanism. These models have been validated by extensive comparison with available experimental data on ethylene ignition and flame propagation. The experimental data from the literature have been carefully examined to accurately assess the models’ predicting performance. Noticeable differences in the predictions of ethylene ignition and flame propagation under a variety of conditions have been observed. Moreover, sensitivity analysis has been conducted to identify important reactions for the prediction of ethylene ignition and flames. For ethylene ignition, it was found that C2H4 consumption reactions with radicals OH, O and subsequent reactions of vinyl with oxygen have dominant effect on predicted ignition delays. The pathway analysis has also been performed for each mechanism to identify different reaction pathways in ethylene ignition process. For ethylene flames, sensitivity analysis shows that H–O and C1 chemistry reactions significantly influence the laminar burning velocity in lean ethylene/air flames, while C2 chemistry reactions become of increasing importance in fuel-rich flames. Furthermore, to better understand the models’ predicting behavior, the differences in the reaction rate constants and routes of C2H4 and vinyl chemistry have been analyzed and discussed.

Suggested Citation

  • Xu, Chaoqi & Konnov, Alexander A., 2012. "Validation and analysis of detailed kinetic models for ethylene combustion," Energy, Elsevier, vol. 43(1), pages 19-29.
    • Handle: RePEc:eee:energy:v:43:y:2012:i:1:p:19-29
    DOI: 10.1016/j.energy.2011.11.006
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544211007249
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2011.11.006?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.

    References listed on IDEAS

    as
    1. Ren, Tao & Patel, Martin K. & Blok, Kornelis, 2008. "Steam cracking and methane to olefins: Energy use, CO2 emissions and production costs," Energy, Elsevier, vol. 33(5), pages 817-833.
    Full references (including those not matched with items on IDEAS)

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Yu, Runze & Qiu, Yanyu & Xing, Huadao & Xu, Guangan & Wang, Mingyang & Li, Bin & Xie, Lifeng, 2024. "Experimental investigation on initiation mechanism, overpressure, and flame propagation characteristics of methane-air mixtures explosion induced by hexogen in a closed pipeline," Energy, Elsevier, vol. 288(C).
    2. Cao, Yong & Li, Bin & Gao, Kanghua, 2018. "Pressure characteristics during vented explosion of ethylene-air mixtures in a square vessel," Energy, Elsevier, vol. 151(C), pages 26-32.

    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. Rahimpour, M.R. & Mirvakili, A. & Paymooni, K., 2011. "A novel water perm-selective membrane dual-type reactor concept for Fischer–Tropsch synthesis of GTL (gas to liquid) technology," Energy, Elsevier, vol. 36(2), pages 1223-1235.
    2. Yaser Khojasteh Salkuyeh & Thomas A. Adams II, 2015. "Co-Production of Olefins, Fuels, and Electricity from Conventional Pipeline Gas and Shale Gas with Near-Zero CO 2 Emissions. Part I: Process Development and Technical Performance," Energies, MDPI, vol. 8(5), pages 1-23, April.
    3. Chen, Xiangxiang & Sun, Zhuang & Kuo, Po-Chih & Aziz, Muhammad, 2024. "Carbon-negative olefins production from biomass and solar energy via direct chemical looping," Energy, Elsevier, vol. 289(C).
    4. Gomes, Gabriel Lourenço & Szklo, Alexandre & Schaeffer, Roberto, 2009. "The impact of CO2 taxation on the configuration of new refineries: An application to Brazil," Energy Policy, Elsevier, vol. 37(12), pages 5519-5529, December.
    5. Rahmad Syah & Afshin Davarpanah & Marischa Elveny & Amir Ghasemi & Dadan Ramdan, 2021. "The Economic Evaluation of Methanol and Propylene Production from Natural Gas at Petrochemical Industries in Iran," Sustainability, MDPI, vol. 13(17), pages 1-23, September.
    6. Talaei, Alireza & Ahiduzzaman, Md. & Kumar, Amit, 2018. "Assessment of long-term energy efficiency improvement and greenhouse gas emissions mitigation potentials in the chemical sector," Energy, Elsevier, vol. 153(C), pages 231-247.
    7. Xu, Zhongming & Fang, Chenhao & Ma, Tieju, 2020. "Analysis of China’s olefin industry using a system optimization model considering technological learning and energy consumption reduction," Energy, Elsevier, vol. 191(C).
    8. Ren, Tao & Daniëls, Bert & Patel, Martin K. & Blok, Kornelis, 2009. "Petrochemicals from oil, natural gas, coal and biomass: Production costs in 2030–2050," Resources, Conservation & Recycling, Elsevier, vol. 53(12), pages 653-663.
    9. Rebekka Volk & Christoph Stallkamp & Justus J. Steins & Savina Padumane Yogish & Richard C. Müller & Dieter Stapf & Frank Schultmann, 2021. "Techno‐economic assessment and comparison of different plastic recycling pathways: A German case study," Journal of Industrial Ecology, Yale University, vol. 25(5), pages 1318-1337, October.
    10. Yaser Khojasteh Salkuyeh & Thomas A. Adams II, 2015. "Co-Production of Olefins, Fuels, and Electricity from Conventional Pipeline Gas and Shale Gas with Near-Zero CO 2 Emissions. Part II: Economic Performance," Energies, MDPI, vol. 8(5), pages 1-13, April.
    11. Xiang, Dong & Qian, Yu & Man, Yi & Yang, Siyu, 2014. "Techno-economic analysis of the coal-to-olefins process in comparison with the oil-to-olefins process," Applied Energy, Elsevier, vol. 113(C), pages 639-647.
    12. Ding, Bingqing & Makowski, Marek & Nahorski, Zbigniew & Ren, Hongtao & Ma, Tieju, 2022. "Optimizing the technology pathway of China's liquid fuel production considering uncertain oil prices: A robust programming model," Energy Economics, Elsevier, vol. 115(C).
    13. Jalid, Fatima & Khan, Tuhin Suvra & Haider, M. Ali, 2021. "Exploring bimetallic alloy catalysts of Co, Pd and Cu for CO2 reduction combined with ethane dehydrogenation," Applied Energy, Elsevier, vol. 299(C).
    14. Alshammari, Yousef M., 2021. "Scenario analysis for energy transition in the chemical industry: An industrial case study in Saudi Arabia," Energy Policy, Elsevier, vol. 150(C).
    15. Xu, Zhongming & Zhang, Yaru & Fang, Chenhao & Yu, Yadong & Ma, Tieju, 2019. "Analysis of China's olefin industry with a system optimization model – With different scenarios of dynamic oil and coal prices," Energy Policy, Elsevier, vol. 135(C).
    16. Zhao, Zhitong & Chong, Katie & Jiang, Jingyang & Wilson, Karen & Zhang, Xiaochen & Wang, Feng, 2018. "Low-carbon roadmap of chemical production: A case study of ethylene in China," Renewable and Sustainable Energy Reviews, Elsevier, vol. 97(C), pages 580-591.
    17. Ren, Tao & Patel, Martin K., 2009. "Basic petrochemicals from natural gas, coal and biomass: Energy use and CO2 emissions," Resources, Conservation & Recycling, Elsevier, vol. 53(9), pages 513-528.
    18. Antonio García-Olivares, 2015. "Substitutability of Electricity and Renewable Materials for Fossil Fuels in a Post-Carbon Economy," Energies, MDPI, vol. 8(12), pages 1-36, November.

    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:43:y:2012:i:1:p:19-29. 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: 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.