TY - JOUR
T1 - From inherent correlation to constrained measurement
T2 - 38th International Symposium on Combustion, 2021
AU - Huang, Can
AU - Zhou, Zijun
AU - Li, Shuang
AU - Tao, Tao
AU - Zhang, Feng
AU - Hansen, Nils
AU - Law, Chung K.
AU - Yang, Bin
N1 - Funding Information:
This study is supported by the National Natural Science Foundation of China ( 91541113 , 91841301 , 51876199 ). NH is supported by the U.S. Department of Energy (USDOE), Office of Basic Energy Sciences (BES) under Grant No. DE-AC04-94-AL85000. The experiments profited from the expert technical assistance of Paul Fugazzi. This research used resources of the Advanced Light Source, supported Office of Basic Energy Sciences, of the U.S. DOE under Contract No. DEAC02-05CH11231. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, under the U.S. Department of Energy's National Nuclear Security Administration under contract DENA0003525. This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the U.S. DOE or the U.S. Government.
Publisher Copyright:
© 2020 The Combustion Institute.
PY - 2021
Y1 - 2021
N2 - Synchrotron-based molecular-beam mass spectrometry (MBMS) can provide detailed species-resolved information to help develop, validate and optimize combustion kinetic models. While quantification of stable species can be achieved within 30% uncertainty, the measured mole fractions of reactive intermediates often have large systematic errors, mainly due to the large uncertainties associated with estimated photoionization cross sections. These measurements are therefore less effective in improving the model accuracy, and it remains a challenge to make full use of those data for important reactive intermediates with relatively large uncertainties. In the present work, we propose a model-assisted calibration method to reduce the uncertainty of the measurements for those reactive species in the MBMS experiments. The method takes advantage of the inherent correlation of the systematic uncertainty in the MBMS measurements and uses the accurate model predictions to calibrate the correlated experimental data. By global uncertainty analysis, the kinetic model for the methanol/O2 flame was analyzed to select the optimal experimental conditions for which the model prediction of the hydroxymethyl radical (CH2OH) has the smallest uncertainty. Then the correlation factor for the systematic uncertainty is determined by analyzing the new measurement and the model prediction under the designed condition. The correlation factor determined has been successfully used to calibrate the peak mole fraction of the CH2OH radical in a laminar premixed methanol flame, reported earlier.
AB - Synchrotron-based molecular-beam mass spectrometry (MBMS) can provide detailed species-resolved information to help develop, validate and optimize combustion kinetic models. While quantification of stable species can be achieved within 30% uncertainty, the measured mole fractions of reactive intermediates often have large systematic errors, mainly due to the large uncertainties associated with estimated photoionization cross sections. These measurements are therefore less effective in improving the model accuracy, and it remains a challenge to make full use of those data for important reactive intermediates with relatively large uncertainties. In the present work, we propose a model-assisted calibration method to reduce the uncertainty of the measurements for those reactive species in the MBMS experiments. The method takes advantage of the inherent correlation of the systematic uncertainty in the MBMS measurements and uses the accurate model predictions to calibrate the correlated experimental data. By global uncertainty analysis, the kinetic model for the methanol/O2 flame was analyzed to select the optimal experimental conditions for which the model prediction of the hydroxymethyl radical (CH2OH) has the smallest uncertainty. Then the correlation factor for the systematic uncertainty is determined by analyzing the new measurement and the model prediction under the designed condition. The correlation factor determined has been successfully used to calibrate the peak mole fraction of the CH2OH radical in a laminar premixed methanol flame, reported earlier.
KW - Experimental design
KW - Kinetic model
KW - Model-assisted calibration
KW - Molecular-beam mass spectrometry
KW - Uncertainty quantification
UR - http://www.scopus.com/inward/record.url?scp=85092231325&partnerID=8YFLogxK
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U2 - 10.1016/j.proci.2020.08.054
DO - 10.1016/j.proci.2020.08.054
M3 - Conference article
AN - SCOPUS:85092231325
SN - 1540-7489
VL - 38
SP - 1071
EP - 1079
JO - Proceedings of the Combustion Institute
JF - Proceedings of the Combustion Institute
IS - 1
Y2 - 24 January 2021 through 29 January 2021
ER -