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Comparison of the characteristics and mechanism of CO formation in O2/N2, O2/CO2 and O2/H2O atmospheres

Author

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  • He, Yizhuo
  • Zou, Chun
  • Song, Yu
  • Luo, Jianghui
  • Jia, Huiqiao
  • Chen, Wuzhong
  • Zheng, Junmei
  • Zheng, Chuguang

Abstract

The characteristics and mechanisms of CO formation in O2/CO2 and O2/H2O atmospheres were investigated both experimentally and numerically. Comparison experiments in O2/N2, O2/CO2 and O2/H2O atmospheres were performed in a flow reactor at atmospheric pressure covering fuel-rich to fuel-lean equivalence ratios and temperatures from 973 K to 1773 K. Experimental results demonstrated that CO formation in an O2/CO2 atmosphere is the highest and that CO formation is the lowest under all fuel-rich, stoichiometric and fuel-lean conditions. The updated chemical kinetic mechanism satisfactorily reproduced the experimental results. For O2/CO2 atmospheres, the presence of a high CO2 concentration enhances CO2 + H = CO + OH and CH2(S) + CO2 = CH2O + CO dramatically, strengthens HCO + M = H + CO + M by the chaperone effect of CO2, and contributes exclusively to CH3OCO = CH3O + CO. The contribution of the pathway CO2 → CO is significant, and CH3 → CH3OCO → CH2O and CH3 → CH3OCO → CO are exclusive channels in O2/CO2 atmospheres. For O2/H2O atmospheres, although the high chaperone effect of H2O facilitates HCO + M = H + CO + M, CO + OH = CO2 + H is enhanced due to the abundant OH radicals and HCCO + H = CH2(S) + CO is suppressed due to the lack of H radicals. The pathway CO→CO2 is enhanced due to sufficient OH radicals, and CH3 → (CH2(S)) → CH3OH → CH3O → CH2O and CH3 → (CH2(S)) → CH3OH → CH2OH are exclusive channels. Moreover, the pathway CH2O → HCO → CO is amplified in both O2/CO2 and O2/H2O atmospheres.

Suggested Citation

  • He, Yizhuo & Zou, Chun & Song, Yu & Luo, Jianghui & Jia, Huiqiao & Chen, Wuzhong & Zheng, Junmei & Zheng, Chuguang, 2017. "Comparison of the characteristics and mechanism of CO formation in O2/N2, O2/CO2 and O2/H2O atmospheres," Energy, Elsevier, vol. 141(C), pages 1429-1438.
  • Handle: RePEc:eee:energy:v:141:y:2017:i:c:p:1429-1438
    DOI: 10.1016/j.energy.2017.11.043
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    References listed on IDEAS

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    1. Lai, Xianjin & Ye, Zhonghua & Xu, Zhengzhong & Husar Holmes, Maja & Henry Lambright, W., 2012. "Carbon capture and sequestration (CCS) technological innovation system in China: Structure, function evaluation and policy implication," Energy Policy, Elsevier, vol. 50(C), pages 635-646.
    2. Mardani, A. & Fazlollahi Ghomshi, A., 2016. "Numerical study of oxy-fuel MILD (moderate or intense low-oxygen dilution combustion) combustion for CH4–H2 fuel," Energy, Elsevier, vol. 99(C), pages 136-151.
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    1. Luo, Jianghui & Zou, Chun & He, Yizhuo & Jing, Huixiang & Cheng, Sizhe, 2019. "The characteristics and mechanism of NO formation during pyridine oxidation in O2/N2 and O2/CO2 atmospheres," Energy, Elsevier, vol. 187(C).
    2. Liu, Shibo & Zou, Chun & Song, Yu & Cheng, Sizhe & Lin, Qianjin, 2019. "Experimental and numerical study of laminar flame speeds of CH4/NH3 mixtures under oxy-fuel combustion," Energy, Elsevier, vol. 175(C), pages 250-258.
    3. Tu, Yaojie & Xu, Mingchen & Zhou, Dezhi & Wang, Qingxiang & Yang, Wenming & Liu, Hao, 2019. "CFD and kinetic modelling study of methane MILD combustion in O2/N2, O2/CO2 and O2/H2O atmospheres," Applied Energy, Elsevier, vol. 240(C), pages 1003-1013.

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