TY - JOUR
T1 - Experimental and modeling study of the mutual oxidation of N-pentane and nitrogen dioxide at low and high temperatures in a jet stirred reactor
AU - Zhao, Hao
AU - Dana, Alon G.
AU - Zhang, Zunhua
AU - Green, William H.
AU - Ju, Yiguang
N1 - Funding Information:
This work was supported by NSF CBET-1507358 research grant and the Princeton Environmental Institute, Princeton University (PEI)-Andlinger Center for Innovative Research Awards in Energy and the Environment. Financial support from the Zuckerman STEM Leadership Program is gratefully acknowledged.
Publisher Copyright:
© 2018 Elsevier Ltd
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2018/12/15
Y1 - 2018/12/15
N2 - 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.
AB - 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.
KW - Jet stirred reactor
KW - Low and high temperature chemistry
KW - N-pentane
KW - NO sensitization
KW - NO interconversion
UR - http://www.scopus.com/inward/record.url?scp=85044616299&partnerID=8YFLogxK
U2 - 10.1016/j.energy.2018.10.013
DO - 10.1016/j.energy.2018.10.013
M3 - Journal article
AN - SCOPUS:85044616299
SN - 0360-5442
VL - 165
SP - 727
EP - 738
JO - Energy
JF - Energy
ER -