IDEAS home Printed from https://ideas.repec.org/a/eee/appene/v212y2018icp909-918.html
   My bibliography  Save this article

A numerical study on the chemical kinetics process during auto-ignition of n-heptane in a direct injection compression ignition engine

Author

Listed:
  • Li, Yu
  • Li, Hailin
  • Guo, Hongsheng
  • Wang, Hu
  • Yao, Mingfa

Abstract

This paper presents a numerical analysis of the ignition process of an n-heptane spray in a compression ignition engine using a post-processing tool developed by West Virginia University. Such a tool is able to process the CFD simulation data for the examination of chemical reaction process without revising the CFD source code. The main functions of the post-processing tool include: (1) The calculation of the instantaneous rate of production (ROP) using CHEMKIN with the temperature, pressure and species concentration in each cell simulated using CFD; (2) the development of the representative destruction reaction (RDR) and destruction pathway of the key species involved in a specific area; and (3) the visualization of the analysis results. Such a tool was applied to examine the chemical reaction process during ignition delay of the n-heptane spray in a direct injection compression ignition engine. The H abstraction of n-heptane by O2, OH, HO2, and H radical during ignition period was further examined. The destruction pathway of key species in RDROH/RDRHO2 region and their development leading to the autoignition of n-heptane were studied. It is found that both the n-heptane/air mixture and bulk gas movement play an important role in the formation of RDRHO2 region. The RDRHO2 region featured with medium temperature (around 1000 K) produces more H2O2/HO2 radical before the auto-ignition of n-heptane than low-temperature combustion. The rapid dissociation of H2O2 provides a large amount of OH radical that enhances the chain branching reaction as well as heat release process which then initiates the autoignition of n-heptane. The reaction rates of nC7H16 + OH = C7H15 + H2O and nC7H16 + HO2 = C7H15 + H2O2 were examined to reveal their competition in destructing n-heptane. The H atom is also found to promote the chain branching during auto-ignition. Such a tool provides the convenience for commercial CFD research community to conveniently elaborate the CFD simulation results for better understanding of the fundamental aspects of the combustion and emissions phenomenon observed using CFD code.

Suggested Citation

  • Li, Yu & Li, Hailin & Guo, Hongsheng & Wang, Hu & Yao, Mingfa, 2018. "A numerical study on the chemical kinetics process during auto-ignition of n-heptane in a direct injection compression ignition engine," Applied Energy, Elsevier, vol. 212(C), pages 909-918.
    • Handle: RePEc:eee:appene:v:212:y:2018:i:c:p:909-918
    DOI: 10.1016/j.apenergy.2017.12.067
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0306261917317828
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.apenergy.2017.12.067?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. Li, Yu & Li, Hailin & Guo, Hongsheng & Li, Yongzhi & Yao, Mingfa, 2017. "A numerical investigation on methane combustion and emissions from a natural gas-diesel dual fuel engine using CFD model," Applied Energy, Elsevier, vol. 205(C), pages 153-162.
    2. Wang, Yang & Wei, Lixia & Yao, Mingfa, 2016. "A theoretical investigation of the effects of the low-temperature reforming products on the combustion of n-heptane in an HCCI engine and a constant volume vessel," Applied Energy, Elsevier, vol. 181(C), pages 132-139.
    3. Elsanusi, Osama Ahmed & Roy, Murari Mohon & Sidhu, Manpreet Singh, 2017. "Experimental Investigation on a Diesel Engine Fueled by Diesel-Biodiesel Blends and their Emulsions at Various Engine Operating Conditions," Applied Energy, Elsevier, vol. 203(C), pages 582-593.
    4. Hwang, Joonsik & Bae, Choongsik & Patel, Chetankumar & Agarwal, Rashmi A. & Gupta, Tarun & Kumar Agarwal, Avinash, 2017. "Investigations on air-fuel mixing and flame characteristics of biodiesel fuels for diesel engine application," Applied Energy, Elsevier, vol. 206(C), pages 1203-1213.
    5. Li, Bowen & Li, Yanfei & Liu, Haoye & Liu, Fang & Wang, Zhi & Wang, Jianxin, 2017. "Combustion and emission characteristics of diesel engine fueled with biodiesel/PODE blends," Applied Energy, Elsevier, vol. 206(C), pages 425-431.
    6. Wu, Zhijun & Kang, Zhe & Deng, Jun & Hu, Zongjie & Li, Liguang, 2016. "Effect of oxygen content on n-heptane auto-ignition characteristics in a HCCI engine," Applied Energy, Elsevier, vol. 184(C), pages 594-604.
    7. Yang, Binbin & Yao, Mingfa & Cheng, Wai K. & Li, Yu & Zheng, Zunqing & Li, Shanju, 2014. "Experimental and numerical study on different dual-fuel combustion modes fuelled with gasoline and diesel," Applied Energy, Elsevier, vol. 113(C), pages 722-733.
    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. Yin, Lianhao & Lundgren, Marcus & Wang, Zhenkan & Stamatoglou, Panagiota & Richter, Mattias & Andersson, Öivind & Tunestål, Per, 2019. "High efficient internal combustion engine using partially premixed combustion with multiple injections," Applied Energy, Elsevier, vol. 233, pages 516-523.
    2. Kang, Yinhu & Wang, Qiang & Zhang, Pengyuan & Liu, Congcong & Lu, Xiaofeng & Wang, Quanhai, 2020. "Study on flame structure and extinction mechanism of dimethyl ether spherical diffusion flames," Energy, Elsevier, vol. 193(C).

    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. Ayhan, Vezir & Ece, Yılmaz Mert, 2020. "New application to reduce NOx emissions of diesel engines: Electronically controlled direct water injection at compression stroke," Applied Energy, Elsevier, vol. 260(C).
    2. Hirner, Felix Sebastian & Hwang, Joonsik & Bae, Choongsik & Patel, Chetankumar & Gupta, Tarun & Agarwal, Avinash Kumar, 2019. "Performance and emission evaluation of a small-bore biodiesel compression-ignition engine," Energy, Elsevier, vol. 183(C), pages 971-982.
    3. Benajes, Jesús & García, Antonio & Monsalve-Serrano, Javier & Lago Sari, Rafael, 2018. "Fuel consumption and engine-out emissions estimations of a light-duty engine running in dual-mode RCCI/CDC with different fuels and driving cycles," Energy, Elsevier, vol. 157(C), pages 19-30.
    4. Wang, Zhaowen & Shi, Shuguo & Huang, Sheng & Tang, Jie & Du, Tao & Cheng, Xiaobei & Huang, Ronghua & Chen, Jyh-Yuan, 2018. "Effects of water content on evaporation and combustion characteristics of water emulsified diesel spray," Applied Energy, Elsevier, vol. 226(C), pages 397-407.
    5. Doppalapudi, A.T. & Azad, A.K. & Khan, M.M.K., 2023. "Advanced strategies to reduce harmful nitrogen-oxide emissions from biodiesel fueled engine," Renewable and Sustainable Energy Reviews, Elsevier, vol. 174(C).
    6. 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.
    7. Babu, D. & Karvembu, R. & Anand, R., 2018. "Impact of split injection strategy on combustion, performance and emissions characteristics of biodiesel fuelled common rail direct injection assisted diesel engine," Energy, Elsevier, vol. 165(PB), pages 577-592.
    8. Kim, Hyung Jun & Jo, Seongin & Lee, Jong-Tae & Park, Suhan, 2020. "Biodiesel fueled combustion performance and emission characteristics under various intake air temperature and injection timing conditions," Energy, Elsevier, vol. 206(C).
    9. Zhang, Wei & Chang, Shaoyue & Wu, Wei & Dong, Lihui & Chen, Zhaohui & Chen, Guisheng, 2019. "A diesel/natural gas dual fuel mechanism constructed to reveal combustion and emission characteristics," Energy, Elsevier, vol. 179(C), pages 59-75.
    10. Md Modassir Khan & Arun Kumar Kadian & Rabindra Prasad Sharma & S M Mozammil Hasnain & Ahmed Mohamed & Adham E. Ragab & Ali Zare & Shatrudhan Pandey, 2023. "Emission Reduction and Performance Enhancement of CI Engine Propelled by Neem Biodiesel-Neem Oil-Decanol-Diesel Blends at High Injection Pressure," Sustainability, MDPI, vol. 15(11), pages 1-18, June.
    11. Yang, Hongqiang & Wang, Zhi & Shuai, Shijin & Wang, Jianxin & Xu, Hongming & Wang, Buyu, 2015. "Temporally and spatially distributed combustion in low-octane gasoline multiple premixed compression ignition mode," Applied Energy, Elsevier, vol. 150(C), pages 150-160.
    12. Seifi, Mohammad Reza & Desideri, Umberto & Ghorbani, Zahra & Antonelli, Marco & Frigo, Stefano & Hassan-Beygi, Seyed Reza & Ghobadian, Barat, 2019. "Statistical evaluation of the effect of water percentage in water-diesel emulsion on the engine performance and exhaust emission parameters," Energy, Elsevier, vol. 180(C), pages 797-806.
    13. Ismael, Mhadi A. & A. Aziz, A. Rashid & Mohammed, Salah E. & Zainal A, Ezrann Z. & Baharom, Masri B. & Hagos, Ftwi Yohaness, 2021. "Macroscopic and microscopic spray structure of water-in-diesel emulsions," Energy, Elsevier, vol. 223(C).
    14. Teoh, Y.H. & How, H.G. & Masjuki, H.H. & Nguyen, H.-T. & Kalam, M.A. & Alabdulkarem, A., 2019. "Investigation on particulate emissions and combustion characteristics of a common-rail diesel engine fueled with Moringa oleifera biodiesel-diesel blends," Renewable Energy, Elsevier, vol. 136(C), pages 521-534.
    15. Tolgahan Kaya & Osman Akın Kutlar & Ozgur Oguz Taskiran, 2018. "Evaluation of the Effects of Biodiesel on Emissions and Performance by Comparing the Results of the New European Drive Cycle and Worldwide Harmonized Light Vehicles Test Cycle," Energies, MDPI, vol. 11(10), pages 1-14, October.
    16. Gao, Zhiming & Curran, Scott J. & Parks, James E. & Smith, David E. & Wagner, Robert M. & Daw, C. Stuart & Edwards, K. Dean & Thomas, John F., 2015. "Drive cycle simulation of high efficiency combustions on fuel economy and exhaust properties in light-duty vehicles," Applied Energy, Elsevier, vol. 157(C), pages 762-776.
    17. E, Jiaqiang & Pham, MinhHieu & Deng, Yuanwang & Nguyen, Tuannghia & Duy, VinhNguyen & Le, DucHieu & Zuo, Wei & Peng, Qingguo & Zhang, Zhiqing, 2018. "Effects of injection timing and injection pressure on performance and exhaust emissions of a common rail diesel engine fueled by various concentrations of fish-oil biodiesel blends," Energy, Elsevier, vol. 149(C), pages 979-989.
    18. Chen, Hao & Su, Xin & Li, Junhui & Zhong, Xianglin, 2019. "Effects of gasoline and polyoxymethylene dimethyl ethers blending in diesel on the combustion and emission of a common rail diesel engine," Energy, Elsevier, vol. 171(C), pages 981-999.
    19. Maria Cristina Cameretti & Roberta De Robbio & Ezio Mancaruso & Marco Palomba, 2022. "CFD Study of Dual Fuel Combustion in a Research Diesel Engine Fueled by Hydrogen," Energies, MDPI, vol. 15(15), pages 1-21, July.
    20. Chiong, Meng-Choung & Kang, Hooi-Siang & Shaharuddin, Nik Mohd Ridzuan & Mat, Shabudin & Quen, Lee Kee & Ten, Ki-Hong & Ong, Muk Chen, 2021. "Challenges and opportunities of marine propulsion with alternative fuels," Renewable and Sustainable Energy Reviews, Elsevier, vol. 149(C).

    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:212:y:2018:i:c:p:909-918. 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.