Soot formation with C1 and C2 fuels using an improved chemical mechanism for PAH growth |
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| Affiliation: | 1. Mechanical and Industrial Engineering, University of Toronto, 5 King’s College Circle, Toronto, Ontario M5S 3G8, Canada;2. Mechanical and Industrial Engineering, Ryerson University, 350 Victoria Street, Toronto, Ontario M5B 2K3, Canada;3. Institute of Combustion Technology, German Aerospace Centre (DLR), Pfaffenwaldring 38-40, 70569 Stuttgart, Germany;1. Department of Chemistry, Materials, and Chemical Engineering, Politecnico di Milano, P.zza Leonardo da Vinci 32, 20133 Milano, Italy;2. State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026, PR China;3. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, PR China;1. Department of Mechanical and Industrial Engineering, University of Toronto, 5 Kings College Road, Toronto, Ontario M5S 3G8, Canada;2. Department of Mechanical and Industrial Engineering, Ryerson University, Toronto, Ontario M5B 2K3, Canada;1. State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026, PR China;2. Department of Chemistry, Materials, and Chemical Engineering, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano, Italy;3. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, PR China;1. Department of Chemistry, Material and Chemical Engineering “Giulio Natta”, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano, Italy;2. Mechanical Engineering Department, Stanford University, CA, USA |
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| Abstract: | Recently, an improved chemical mechanism of PAH growth was developed and tested in soot computations for a laminar co-flow non-premixed ethylene–air diffusion flame. In the present work, the chemical mechanism was enhanced further to accommodate the PAH gas phase growth in methane, ethylene and ethane co-flow flames. The changes in the mechanism were tested on a methane/oxygen and two ethane/oxygen premixed flames to ensure no degradation in its application to C2 fuels. The major soot precursors were predicted in a satisfactory matter. The robustness of the soot solution methodology was tested for different fuels by solving methane/air, ethane/air and ethylene/air co-flow laminar diffusion flames using a single solution algorithm for all three cases. The peak soot volume fractions, which varied by two orders of magnitude between fuels, were predicted within a factor of two for all flames. The computations were also able to reproduce the spatial distributions of soot and to explain the variation in soot formation pathways among the fuels. Despite a similarity in bulk properties of the flame, the soot particles in different flames exhibit significantly different growth modes. Ethylene/air flames tend to form soot earlier than methane/air flames and inception plays a bigger role in the latter. |
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| Keywords: | Soot Laminar flame Diffusion flame Computational combustion |
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