Experimental and modeling study of the mutual oxidation of N-pentane and nitrogen dioxide at low and high temperatures in a jet stirred reactor
Author(s)Zhao, Hao; Grinberg Dana, Alon; Zhang, Zunhua; Green Jr, William H; Ju, Yiguang
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The mutual oxidation of n-pentane and NO₂ at 500–1000 K has been studied at equivalence ratios of 0.5 and 1.33 by using an atmospheric-pressure jet stirred reactor (JSR). N-pentane, O₂, NO, NO₂, CO, CO₂, CH₂O, C₂H₄, and CH₃CHO are simultaneously quantified, in-situ by using an electron-impact molecular beam mass spectrometer (EI-MBMS), a micro-gas chromatograph (μ-GC), and a mid-IR dual-modulation faraday rotation spectrometer (DM-FRS). Both fuel lean and rich experiments show that, in 550–650 K, NO₂ addition inhibits low temperature oxidation. With an increase of temperature to the negative temperature coefficient (NTC) region (650–750 K), NO₂ addition weakens the NTC behavior. In 750–1000 K, high temperature oxidation is accelerated with NO₂ addition and shifted to lower temperature. Two kinetic models, a newly developed RMG n-pentane/NOx model and Zhao's n-pentane/NOx model (Zhao et al., 2018, Submitted) were validated against experimental data. Both models were able to capture the temperature-dependent NO₂ sensitization characteristics successfully. The results show that although NO₂ addition in n-pentane has similar effects to NO at many conditions due to fast NO and NO₂ interconversion at higher temperature, it affects low temperature oxidation somewhat differently. When NO2/NO interconversion is slow, NO₂ is relatively inert while NO can strongly promote or inhibit oxidation.
DepartmentMassachusetts Institute of Technology. Department of Chemical Engineering
Zhao, Hao et al. "Experimental and modeling study of the mutual oxidation of N-pentane and nitrogen dioxide at low and high temperatures in a jet stirred reactor." Energy 165 (December 2018): 727-738 © 2018 Elsevier Ltd
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