IDEAS home Printed from https://ideas.repec.org/a/eee/appene/v156y2015icp793-803.html
   My bibliography  Save this article

Numerical optimisation for model evaluation in combustion kinetics

Author

Listed:
  • Fischer, M.
  • Jiang, X.

Abstract

Numerical optimisation related to the estimation of kinetic parameters and model evaluation is playing an increasing role in combustion as well as in other areas of applied energy research. The present work aims at presenting the current probability-based approaches along applications to real problems of combustion chemical kinetics. The main methods related to model and parameter evaluation have been explicated. An in-house program for the systematic adjustment of kinetic parameters to experimental measurements has been described and numerically validated. The GRI (Gas research institute) mechanism (version 3.0) has been shown to initially lead to results which are greatly at variance with experimental data concerning the combustion of CH3 and C2H6. A thorough optimisation of all parameters has been performed with respect to these profiles. A considerable improvement could be reached and the new predictions appear to be compatible with the measurement uncertainties. It was also found that neither GRI 3.0 nor three other reaction mechanisms considered during the present work should be employed (without prior far-reaching optimisation) for numerical simulations of combustors and engines where CH3 and C2H6 play an important role. Overall, this study illustrates the link between optimisation methods and model evaluation in the field of combustion chemical kinetics.

Suggested Citation

  • Fischer, M. & Jiang, X., 2015. "Numerical optimisation for model evaluation in combustion kinetics," Applied Energy, Elsevier, vol. 156(C), pages 793-803.
    • Handle: RePEc:eee:appene:v:156:y:2015:i:c:p:793-803
    DOI: 10.1016/j.apenergy.2015.05.002
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0306261915005863
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.apenergy.2015.05.002?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. An, Hui & Yang, Wenming & Li, Jing & Maghbouli, Amin & Chua, Kian Jon & Chou, Siaw Kiang, 2014. "A numerical modeling on the emission characteristics of a diesel engine fueled by diesel and biodiesel blend fuels," Applied Energy, Elsevier, vol. 130(C), pages 458-465.
    2. Aithal, S.M., 2010. "Modeling of NOx formation in diesel engines using finite-rate chemical kinetics," Applied Energy, Elsevier, vol. 87(7), pages 2256-2265, July.
    3. Gong, Cheng & Jangi, Mehdi & Bai, Xue-Song, 2014. "Large eddy simulation of n-Dodecane spray combustion in a high pressure combustion vessel," Applied Energy, Elsevier, vol. 136(C), pages 373-381.
    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. Liu, Xinlei & Wang, Hu & Wang, Xiaofeng & Zheng, Zunqing & Yao, Mingfa, 2017. "Experimental and modelling investigations of the diesel surrogate fuels in direct injection compression ignition combustion," Applied Energy, Elsevier, vol. 189(C), pages 187-200.
    2. Liu, Teng & E, Jiaqiang & Yang, W.M. & Deng, Yuangwang & An, H. & Zhang, Zhiqing & Pham, Minhhieu, 2018. "Investigation on the applicability for reaction rates adjustment of the optimized biodiesel skeletal mechanism," Energy, Elsevier, vol. 150(C), pages 1031-1038.
    3. Asprion, Jonas & Chinellato, Oscar & Guzzella, Lino, 2013. "A fast and accurate physics-based model for the NOx emissions of Diesel engines," Applied Energy, Elsevier, vol. 103(C), pages 221-233.
    4. Mohan, Balaji & Yang, Wenming & Yu, Wenbin & Tay, Kun Lin & Chou, Siaw Kiang, 2015. "Numerical investigation on the effects of injection rate shaping on combustion and emission characteristics of biodiesel fueled CI engine," Applied Energy, Elsevier, vol. 160(C), pages 737-745.
    5. Zhang, Min & Ong, Jiun Cai & Pang, Kar Mun & Bai, Xue-Song & Walther, Jens H., 2022. "Large eddy simulation of soot formation and oxidation for different ambient temperatures and oxygen levels," Applied Energy, Elsevier, vol. 306(PB).
    6. E, Jiaqiang & Liu, Teng & Yang, Wenming & Deng, Yuanwang & Gong, Jinke, 2016. "A skeletal mechanism modeling on soot emission characteristics for biodiesel surrogates with varying fatty acid methyl esters proportion," Applied Energy, Elsevier, vol. 181(C), pages 322-331.
    7. Jia, Guorui & Wang, Hu & Tong, Laihui & Wang, Xiaofeng & Zheng, Zunqing & Yao, Mingfa, 2017. "Experimental and numerical studies on three gasoline surrogates applied in gasoline compression ignition (GCI) mode," Applied Energy, Elsevier, vol. 192(C), pages 59-70.
    8. Khan, Shahanwaz & Panua, Rajsekhar & Bose, Probir Kumar, 2019. "The impact of combustion chamber configuration on combustion and emissions of a single cylinder diesel engine fuelled with soybean methyl ester blends with diesel," Renewable Energy, Elsevier, vol. 143(C), pages 335-351.
    9. Wen, Xu & Luo, Kun & Luo, Yujuan & Kassem, Hassan I. & Jin, Hanhui & Fan, Jianren, 2016. "Large eddy simulation of a semi-industrial scale coal furnace using non-adiabatic three-stream flamelet/progress variable model," Applied Energy, Elsevier, vol. 183(C), pages 1086-1097.
    10. Szwaja, Stanislaw & Jamrozik, Arkadiusz & Tutak, Wojciech, 2013. "A two-stage combustion system for burning lean gasoline mixtures in a stationary spark ignited engine," Applied Energy, Elsevier, vol. 105(C), pages 271-281.
    11. Ali Raza & Hassan Mehboob & Sajjad Miran & Waseem Arif & Syed Farukh Javaid Rizvi, 2020. "Investigation on the Characteristics of Biodiesel Droplets in the Engine Cylinder," Energies, MDPI, vol. 13(14), pages 1-14, July.
    12. Bari, S. & Saad, Idris, 2015. "Optimization of vane numbers through simulation and experiment, and investigation of the effect on the performance and emissions of a CI (compression ignition) engine run with biodiesel," Energy, Elsevier, vol. 79(C), pages 248-263.
    13. Kan, Xiang & Wei, Liping & Li, Xian & Li, Han & Zhou, Dezhi & Yang, Wenming & Wang, Chi-Hwa, 2020. "Effects of the three dual-fuel strategies on performance and emissions of a biodiesel engine," Applied Energy, Elsevier, vol. 262(C).
    14. Molina, S. & Guardiola, C. & Martín, J. & García-Sarmiento, D., 2014. "Development of a control-oriented model to optimise fuel consumption and NOX emissions in a DI Diesel engine," Applied Energy, Elsevier, vol. 119(C), pages 405-416.
    15. Amba Prasad Rao, G. & Kaleemuddin, Syed, 2011. "Development of variable timing fuel injection cam for effective abatement of diesel engine emissions," Applied Energy, Elsevier, vol. 88(8), pages 2653-2662, August.
    16. Doppalapudi, A.T. & Azad, A.K. & Khan, M.M.K., 2021. "Combustion chamber modifications to improve diesel engine performance and reduce emissions: A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 152(C).
    17. Zhong, Shenghui & Xu, Shijie & Bai, Xue-Song & Peng, Zhijun & Zhang, Fan, 2021. "Large eddy simulation of n-heptane/syngas pilot ignition spray combustion: Ignition process, liftoff evolution and pollutant emissions," Energy, Elsevier, vol. 233(C).
    18. Wei, Yi & Zhang, Zunhua & Zhou, Mengni & Yu, Weiping & Zhang, Xiangjie & Hu, Jiajia & Mi, Xiaoxiong & Li, Gesheng, 2024. "Effects of ambient pressures on cool flames in n-dodecane spray studied with laser diagnostics and large-eddy simulations," Energy, Elsevier, vol. 294(C).
    19. Tauzia, Xavier & Maiboom, Alain & Karaky, Hassan, 2017. "Semi-physical models to assess the influence of CI engine calibration parameters on NOx and soot emissions," Applied Energy, Elsevier, vol. 208(C), pages 1505-1518.
    20. Raptotasios, Spiridon I. & Sakellaridis, Nikolaos F. & Papagiannakis, Roussos G. & Hountalas, Dimitrios T., 2015. "Application of a multi-zone combustion model to investigate the NOx reduction potential of two-stroke marine diesel engines using EGR," Applied Energy, Elsevier, vol. 157(C), pages 814-823.

    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:appene:v:156:y:2015:i:c:p:793-803. 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.elsevier.com/wps/find/journaldescription.cws_home/405891/description#description .

    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.