A reduced multicomponent diffusion model
Abstract
Here, the diffusion models for multicomponent mixtures are investigated in planar premixed flames, counterflow diffusion flames, and ignition of droplet flames. Discernable discrepancies were observed in the simulated flames with the mixture-averaged and multicomponent diffusion models, respectively, while the computational cost of the multicomponent model is significantly higher than that of the mixture-averaged model. A systematic strategy is proposed to reduce the cost of the multicomponent diffusion model by accurately accounting for the species whose diffusivity is important to the global responses of the combustion systems, and approximating those of less importance. The important species in the reduced model are identified with sensitivity analysis, and are found to be typically among those in high concentrations with exception of a few radicals, e.g. H and OH, that are known to participate in critical reactions. The reduced model is validated in simulating the propagation of planar premixed flames, extinction of counterflow non-premixed flames and ignition of droplet flames. The reduced model was shown to feature similar accuracy to that of the multicomponent model while the computational cost was reduced by a factor of approximately 5 for an n-heptane mechanism with 88 species.
- Authors:
-
- Princeton Univ., NJ (United States)
- Univ. of Connecticut, Storrs, CT (United States)
- Princeton Univ., NJ (United States); Tsinghua Univ., Beijing (China)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division
- OSTI Identifier:
- 1384012
- Alternate Identifier(s):
- OSTI ID: 1434788
- Grant/Contract Number:
- SC0001198; SC0008622
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Combustion and Flame
- Additional Journal Information:
- Journal Volume: 162; Journal Issue: 1; Related Information: CEFRC partners with Princeton University (lead); Argonne National Laboratory; University of Connecticut; Cornell University; Massachusetts Institute of Technology; University of Minnesota; Sandia National Laboratories; University of Southern California; Stanford University; University of Wisconsin, Madison; Journal ID: ISSN 0010-2180
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING; Multicomponent diffusion; Diffusion model; Model reduction; Biofuels (including algae and biomass); Hydrogen and fuel cells; Combustion; Carbon capture
Citation Formats
Xin, Yuxuan, Liang, Wenkai, Liu, Wei, Lu, Tianfeng, and Law, Chung K. A reduced multicomponent diffusion model. United States: N. p., 2014.
Web. doi:10.1016/j.combustflame.2014.07.019.
Xin, Yuxuan, Liang, Wenkai, Liu, Wei, Lu, Tianfeng, & Law, Chung K. A reduced multicomponent diffusion model. United States. https://doi.org/10.1016/j.combustflame.2014.07.019
Xin, Yuxuan, Liang, Wenkai, Liu, Wei, Lu, Tianfeng, and Law, Chung K. Tue .
"A reduced multicomponent diffusion model". United States. https://doi.org/10.1016/j.combustflame.2014.07.019. https://www.osti.gov/servlets/purl/1384012.
@article{osti_1384012,
title = {A reduced multicomponent diffusion model},
author = {Xin, Yuxuan and Liang, Wenkai and Liu, Wei and Lu, Tianfeng and Law, Chung K.},
abstractNote = {Here, the diffusion models for multicomponent mixtures are investigated in planar premixed flames, counterflow diffusion flames, and ignition of droplet flames. Discernable discrepancies were observed in the simulated flames with the mixture-averaged and multicomponent diffusion models, respectively, while the computational cost of the multicomponent model is significantly higher than that of the mixture-averaged model. A systematic strategy is proposed to reduce the cost of the multicomponent diffusion model by accurately accounting for the species whose diffusivity is important to the global responses of the combustion systems, and approximating those of less importance. The important species in the reduced model are identified with sensitivity analysis, and are found to be typically among those in high concentrations with exception of a few radicals, e.g. H and OH, that are known to participate in critical reactions. The reduced model is validated in simulating the propagation of planar premixed flames, extinction of counterflow non-premixed flames and ignition of droplet flames. The reduced model was shown to feature similar accuracy to that of the multicomponent model while the computational cost was reduced by a factor of approximately 5 for an n-heptane mechanism with 88 species.},
doi = {10.1016/j.combustflame.2014.07.019},
journal = {Combustion and Flame},
number = 1,
volume = 162,
place = {United States},
year = {Tue Aug 12 00:00:00 EDT 2014},
month = {Tue Aug 12 00:00:00 EDT 2014}
}
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