NOx-Hydrocarbon Kinetics Model Validation Using Measurements of H2O in Shock-Heated CH4/C2H6 Mixtures With NO2 as Oxidant.

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Title: NOx-Hydrocarbon Kinetics Model Validation Using Measurements of H2O in Shock-Heated CH4/C2H6 Mixtures With NO2 as Oxidant.
Authors: Mathieu, O.1 olivier.mathieu@tamu.edu, Mulvihill, C. R.1, Petersen, E. L.1, Curran, H. J.2
Source: Journal of Engineering for Gas Turbines & Power. Apr2019, Vol. 141 Issue 4, p1-8. 8p.
Abstract: One method frequently used to reduce NOx emissions is exhaust gas recirculation, where a portion of the exhaust gases, including NOx, is reintroduced into the combustion chamber. While a significant amount of research has been performed to understand the important fuel/NOx chemistry, more work is still necessary to improve the current understanding on this chemistry and to refine detailed kinetics models. To validate models beyond global kinetics data, such as ignition delay time or flame speed, the formation of H2O was recorded using a laser absorption diagnostic during the oxidation of a mixture representing a simplistic natural gas (90% CH4/10% C2H6 (mol)). This mixture was studied at a fuel lean condition (equivalence ratio=0.5) and at atmospheric pressure. Unlike in conventional fuel-air experiments, NO2 was used as the oxidant to better elucidate the important, fundamental chemical kinetics by exaggerating the interaction between NOx and hydrocarbon-based species. Results showed a peculiar water formation profile, compared to a former study performed in similar conditions with O2 as oxidant. In the presence of NO2, the formation of water occurs almost immediately before it reaches more or less rapidly (depending on the temperature) a plateau. Modern, detailed kinetics models predict the data with fair to good accuracy overall, while the GRI 3.0 mechanism is proven inadequate for reproducing CH4/C2H6 and NO2 interactions. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Engineering for Gas Turbines & Power is the property of American Society of Mechanical Engineers and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: <searchLink fieldCode="AR" term="%22Mathieu%2C+O%2E%22">Mathieu, O.</searchLink><relatesTo>1</relatesTo><i> olivier.mathieu@tamu.edu</i><br /><searchLink fieldCode="AR" term="%22Mulvihill%2C+C%2E+R%2E%22">Mulvihill, C. R.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Petersen%2C+E%2E+L%2E%22">Petersen, E. L.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Curran%2C+H%2E+J%2E%22">Curran, H. J.</searchLink><relatesTo>2</relatesTo>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Engineering+for+Gas+Turbines+%26+Power%22">Journal of Engineering for Gas Turbines & Power</searchLink>. Apr2019, Vol. 141 Issue 4, p1-8. 8p.
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: One method frequently used to reduce NOx emissions is exhaust gas recirculation, where a portion of the exhaust gases, including NOx, is reintroduced into the combustion chamber. While a significant amount of research has been performed to understand the important fuel/NOx chemistry, more work is still necessary to improve the current understanding on this chemistry and to refine detailed kinetics models. To validate models beyond global kinetics data, such as ignition delay time or flame speed, the formation of H2O was recorded using a laser absorption diagnostic during the oxidation of a mixture representing a simplistic natural gas (90% CH4/10% C2H6 (mol)). This mixture was studied at a fuel lean condition (equivalence ratio=0.5) and at atmospheric pressure. Unlike in conventional fuel-air experiments, NO2 was used as the oxidant to better elucidate the important, fundamental chemical kinetics by exaggerating the interaction between NOx and hydrocarbon-based species. Results showed a peculiar water formation profile, compared to a former study performed in similar conditions with O2 as oxidant. In the presence of NO2, the formation of water occurs almost immediately before it reaches more or less rapidly (depending on the temperature) a plateau. Modern, detailed kinetics models predict the data with fair to good accuracy overall, while the GRI 3.0 mechanism is proven inadequate for reproducing CH4/C2H6 and NO2 interactions. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Engineering for Gas Turbines & Power is the property of American Society of Mechanical Engineers and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1115/1.4041659
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        Text: English
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      – TitleFull: NOx-Hydrocarbon Kinetics Model Validation Using Measurements of H2O in Shock-Heated CH4/C2H6 Mixtures With NO2 as Oxidant.
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              Text: Apr2019
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