Reduced Order Modelling and Quantification of Uncertainty in Non Equilibrium Flows. Kuppa, M., Singh, N., Rostkowski, P., Ghanem, R., & Panesi, M. In AIAA AVIATION 2023 Forum, 2023. AIAA Paper 2023-3331. doi abstract bibtex View Video Presentation: https://doi.org/10.2514/6.2023-3331.vidThis study investigates uncertainty propagation and sensitivity analysis of state-specific dissociation and excitation rate coefficients in the context of macroscopic quantities of interest such as species mole fraction evolution and quasi-steady-state (QSS) rate coefficient. To accomplish this, an isothermal isochoric zero-dimensional chemical reactor is solved for various bath conditions. To handle the computational complexity of the master equations, three different coarse-graining methods are utilized: a 200-bin energy-based lumping model, a 3-bin energy-based lumping model, and a 10-bin spectral clustering-based model. The results show that while the uncertainty propagation is sensitive to the type of coarse-graining, the spectral clustering method produces the least model error when compared to the other coarse-grained models employed. Moreover, when an uncertainty factor of 5 is applied to the state-specific dissociation rate coefficients, it leads to an approximate ± 10% uncertainty range around the nominal values of the QSS rate coefficient. The sensitivity analysis conducted using the 200-bin model reveals that the most influential factor affecting the QSS rate coefficient and dissociation time is the mono-quantum vibrational excitation from low-lying levels. Additionally, at low temperatures, the high-lying dissociation rate coefficients contribute significantly to the uncertainty of the studied quantities, while at high temperatures, the dissociation from low to moderate-lying vibrational energy states plays a crucial role. These findings underscore the critical role played by vibrational excitation in determining the behavior of reactive systems at different temperature regimes.
@inproceedings{kuppa2023,
title = {Reduced {Order} {Modelling} and {Quantification} of {Uncertainty} in {Non} {Equilibrium} {Flows}},
doi = {10.2514/6.2023-3331},
abstract = {View Video Presentation: https://doi.org/10.2514/6.2023-3331.vidThis study investigates uncertainty propagation and sensitivity analysis of state-specific dissociation and excitation rate coefficients in the context of macroscopic quantities of interest such as species mole fraction evolution and quasi-steady-state (QSS) rate coefficient. To accomplish this, an isothermal isochoric zero-dimensional chemical reactor is solved for various bath conditions. To handle the computational complexity of the master equations, three different coarse-graining methods are utilized: a 200-bin energy-based lumping model, a 3-bin energy-based lumping model, and a 10-bin spectral clustering-based model. The results show that while the uncertainty propagation is sensitive to the type of coarse-graining, the spectral clustering method produces the least model error when compared to the other coarse-grained models employed. Moreover, when an uncertainty factor of 5 is applied to the state-specific dissociation rate coefficients, it leads to an approximate ± 10\% uncertainty range around the nominal values of the QSS rate coefficient. The sensitivity analysis conducted using the 200-bin model reveals that the most influential factor affecting the QSS rate coefficient and dissociation time is the mono-quantum vibrational excitation from low-lying levels. Additionally, at low temperatures, the high-lying dissociation rate coefficients contribute significantly to the uncertainty of the studied quantities, while at high temperatures, the dissociation from low to moderate-lying vibrational energy states plays a crucial role. These findings underscore the critical role played by vibrational excitation in determining the behavior of reactive systems at different temperature regimes.},
urldate = {2023-08-08},
booktitle = {{AIAA} {AVIATION} 2023 {Forum}},
publisher = {AIAA Paper 2023-3331},
author = {Kuppa, Mridula and Singh, Narendra and Rostkowski, Przemyslaw and Ghanem, Roger and Panesi, Marco},
year = {2023},
}
Downloads: 0
{"_id":"YJkAe4JC3NfxMatr2","bibbaseid":"kuppa-singh-rostkowski-ghanem-panesi-reducedordermodellingandquantificationofuncertaintyinnonequilibriumflows-2023","author_short":["Kuppa, M.","Singh, N.","Rostkowski, P.","Ghanem, R.","Panesi, M."],"bibdata":{"bibtype":"inproceedings","type":"inproceedings","title":"Reduced Order Modelling and Quantification of Uncertainty in Non Equilibrium Flows","doi":"10.2514/6.2023-3331","abstract":"View Video Presentation: https://doi.org/10.2514/6.2023-3331.vidThis study investigates uncertainty propagation and sensitivity analysis of state-specific dissociation and excitation rate coefficients in the context of macroscopic quantities of interest such as species mole fraction evolution and quasi-steady-state (QSS) rate coefficient. To accomplish this, an isothermal isochoric zero-dimensional chemical reactor is solved for various bath conditions. To handle the computational complexity of the master equations, three different coarse-graining methods are utilized: a 200-bin energy-based lumping model, a 3-bin energy-based lumping model, and a 10-bin spectral clustering-based model. The results show that while the uncertainty propagation is sensitive to the type of coarse-graining, the spectral clustering method produces the least model error when compared to the other coarse-grained models employed. Moreover, when an uncertainty factor of 5 is applied to the state-specific dissociation rate coefficients, it leads to an approximate ± 10% uncertainty range around the nominal values of the QSS rate coefficient. The sensitivity analysis conducted using the 200-bin model reveals that the most influential factor affecting the QSS rate coefficient and dissociation time is the mono-quantum vibrational excitation from low-lying levels. Additionally, at low temperatures, the high-lying dissociation rate coefficients contribute significantly to the uncertainty of the studied quantities, while at high temperatures, the dissociation from low to moderate-lying vibrational energy states plays a crucial role. These findings underscore the critical role played by vibrational excitation in determining the behavior of reactive systems at different temperature regimes.","urldate":"2023-08-08","booktitle":"AIAA AVIATION 2023 Forum","publisher":"AIAA Paper 2023-3331","author":[{"propositions":[],"lastnames":["Kuppa"],"firstnames":["Mridula"],"suffixes":[]},{"propositions":[],"lastnames":["Singh"],"firstnames":["Narendra"],"suffixes":[]},{"propositions":[],"lastnames":["Rostkowski"],"firstnames":["Przemyslaw"],"suffixes":[]},{"propositions":[],"lastnames":["Ghanem"],"firstnames":["Roger"],"suffixes":[]},{"propositions":[],"lastnames":["Panesi"],"firstnames":["Marco"],"suffixes":[]}],"year":"2023","bibtex":"@inproceedings{kuppa2023,\n\ttitle = {Reduced {Order} {Modelling} and {Quantification} of {Uncertainty} in {Non} {Equilibrium} {Flows}},\n\tdoi = {10.2514/6.2023-3331},\n\tabstract = {View Video Presentation: https://doi.org/10.2514/6.2023-3331.vidThis study investigates uncertainty propagation and sensitivity analysis of state-specific dissociation and excitation rate coefficients in the context of macroscopic quantities of interest such as species mole fraction evolution and quasi-steady-state (QSS) rate coefficient. To accomplish this, an isothermal isochoric zero-dimensional chemical reactor is solved for various bath conditions. To handle the computational complexity of the master equations, three different coarse-graining methods are utilized: a 200-bin energy-based lumping model, a 3-bin energy-based lumping model, and a 10-bin spectral clustering-based model. The results show that while the uncertainty propagation is sensitive to the type of coarse-graining, the spectral clustering method produces the least model error when compared to the other coarse-grained models employed. Moreover, when an uncertainty factor of 5 is applied to the state-specific dissociation rate coefficients, it leads to an approximate ± 10\\% uncertainty range around the nominal values of the QSS rate coefficient. The sensitivity analysis conducted using the 200-bin model reveals that the most influential factor affecting the QSS rate coefficient and dissociation time is the mono-quantum vibrational excitation from low-lying levels. Additionally, at low temperatures, the high-lying dissociation rate coefficients contribute significantly to the uncertainty of the studied quantities, while at high temperatures, the dissociation from low to moderate-lying vibrational energy states plays a crucial role. These findings underscore the critical role played by vibrational excitation in determining the behavior of reactive systems at different temperature regimes.},\n\turldate = {2023-08-08},\n\tbooktitle = {{AIAA} {AVIATION} 2023 {Forum}},\n\tpublisher = {AIAA Paper 2023-3331},\n\tauthor = {Kuppa, Mridula and Singh, Narendra and Rostkowski, Przemyslaw and Ghanem, Roger and Panesi, Marco},\n\tyear = {2023},\n}\n\n\n\n\n\n\n\n\n\n\n\n","author_short":["Kuppa, M.","Singh, N.","Rostkowski, P.","Ghanem, R.","Panesi, M."],"key":"kuppa2023","id":"kuppa2023","bibbaseid":"kuppa-singh-rostkowski-ghanem-panesi-reducedordermodellingandquantificationofuncertaintyinnonequilibriumflows-2023","role":"author","urls":{},"metadata":{"authorlinks":{}}},"bibtype":"inproceedings","biburl":"https://bibbase.org/zotero-group/khanquist/4882481","dataSources":["j4QtEXEeJzj3dyMe8","qwkM8ZucCwtxbnXfc"],"keywords":[],"search_terms":["reduced","order","modelling","quantification","uncertainty","non","equilibrium","flows","kuppa","singh","rostkowski","ghanem","panesi"],"title":"Reduced Order Modelling and Quantification of Uncertainty in Non Equilibrium Flows","year":2023}