Investigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis

We performed Computational Fluid Dynamics (CFD) simulations using a Reynolds-Averaged Navier-Stokes (RANS) turbulence model of high-pressure spray pyrolysis with a detailed chemical kinetic mechanism encompassing pyrolysis of n-dodecane and formation of polycyclic aromatic hydrocarbons. We compare t...

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Autores principales:	Nick J. Killingsworth, Tuan M. Nguyen, Carter Brown, Goutham Kukkadapu, Julien Manin
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	soot pyrolysis spray CFD chemical kinetics Mechanical engineering and machinery TJ1-1570
Acceso en línea:	https://doaj.org/article/449c84d9f7be4c0bbd891ae859aa5597
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spelling	oai:doaj.org-article:449c84d9f7be4c0bbd891ae859aa55972021-12-01T19:30:31ZInvestigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis2297-307910.3389/fmech.2021.765478https://doaj.org/article/449c84d9f7be4c0bbd891ae859aa55972021-11-01T00:00:00Zhttps://www.frontiersin.org/articles/10.3389/fmech.2021.765478/fullhttps://doaj.org/toc/2297-3079We performed Computational Fluid Dynamics (CFD) simulations using a Reynolds-Averaged Navier-Stokes (RANS) turbulence model of high-pressure spray pyrolysis with a detailed chemical kinetic mechanism encompassing pyrolysis of n-dodecane and formation of polycyclic aromatic hydrocarbons. We compare the results using the detailed mechanism and those found using several different reduced chemical mechanisms to experiments carried out in an optically accessible, high-pressure, constant-volume combustion chamber. Three different soot models implemented in the CONVERGE CFD software are used: an empirical soot model, a method of moments, and a discrete sectional method. There is a large variation in the prediction of the soot between different combinations of chemical mechanisms and soot model. Furthermore, the amount of soot produced from all models is substantially less than experimental measurements. All of this indicates that there is still substantial work that needs to be done to arrive at simulations that can be relied on to accurately predict soot formation.Nick J. KillingsworthTuan M. NguyenCarter BrownGoutham KukkadapuJulien ManinFrontiers Media S.A.articlesootpyrolysissprayCFDchemical kineticsMechanical engineering and machineryTJ1-1570ENFrontiers in Mechanical Engineering, Vol 7 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	soot pyrolysis spray CFD chemical kinetics Mechanical engineering and machinery TJ1-1570
spellingShingle	soot pyrolysis spray CFD chemical kinetics Mechanical engineering and machinery TJ1-1570 Nick J. Killingsworth Tuan M. Nguyen Carter Brown Goutham Kukkadapu Julien Manin Investigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis
description	We performed Computational Fluid Dynamics (CFD) simulations using a Reynolds-Averaged Navier-Stokes (RANS) turbulence model of high-pressure spray pyrolysis with a detailed chemical kinetic mechanism encompassing pyrolysis of n-dodecane and formation of polycyclic aromatic hydrocarbons. We compare the results using the detailed mechanism and those found using several different reduced chemical mechanisms to experiments carried out in an optically accessible, high-pressure, constant-volume combustion chamber. Three different soot models implemented in the CONVERGE CFD software are used: an empirical soot model, a method of moments, and a discrete sectional method. There is a large variation in the prediction of the soot between different combinations of chemical mechanisms and soot model. Furthermore, the amount of soot produced from all models is substantially less than experimental measurements. All of this indicates that there is still substantial work that needs to be done to arrive at simulations that can be relied on to accurately predict soot formation.
format	article
author	Nick J. Killingsworth Tuan M. Nguyen Carter Brown Goutham Kukkadapu Julien Manin
author_facet	Nick J. Killingsworth Tuan M. Nguyen Carter Brown Goutham Kukkadapu Julien Manin
author_sort	Nick J. Killingsworth
title	Investigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis
title_short	Investigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis
title_full	Investigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis
title_fullStr	Investigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis
title_full_unstemmed	Investigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis
title_sort	investigating the effects of chemical mechanism on soot formation under high-pressure fuel pyrolysis
publisher	Frontiers Media S.A.
publishDate	2021
url	https://doaj.org/article/449c84d9f7be4c0bbd891ae859aa5597
work_keys_str_mv	AT nickjkillingsworth investigatingtheeffectsofchemicalmechanismonsootformationunderhighpressurefuelpyrolysis AT tuanmnguyen investigatingtheeffectsofchemicalmechanismonsootformationunderhighpressurefuelpyrolysis AT carterbrown investigatingtheeffectsofchemicalmechanismonsootformationunderhighpressurefuelpyrolysis AT gouthamkukkadapu investigatingtheeffectsofchemicalmechanismonsootformationunderhighpressurefuelpyrolysis AT julienmanin investigatingtheeffectsofchemicalmechanismonsootformationunderhighpressurefuelpyrolysis
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Investigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis

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