Impact of transport data on extinction strain rate of n-heptane flames
Passad, Martin LU and Nilsson, Elna J.K. LU
(2025)
In Combustion and Flame
280.
- Abstract
The present work presents extinction strain rates in both premixed and non-premixed cases for n-heptane flames, simulated with different transport formulations and a range of Lennard-Jones parameter sets. Although mixture-average and multi-component transport formulations give similar results, the inclusion of thermal diffusion has a larger impact. Thermal diffusion creates an accumulation of n-heptane just upstream of the flame front, which affects the radical pool. Transport parameters with lower diffusivity have a larger accumulation, exacerbating the effect from thermal diffusion. It is concluded that the spread in the results is larger than the experimental errors of the cases investigated, and that the simulations predict lean... (More)
The present work presents extinction strain rates in both premixed and non-premixed cases for n-heptane flames, simulated with different transport formulations and a range of Lennard-Jones parameter sets. Although mixture-average and multi-component transport formulations give similar results, the inclusion of thermal diffusion has a larger impact. Thermal diffusion creates an accumulation of n-heptane just upstream of the flame front, which affects the radical pool. Transport parameters with lower diffusivity have a larger accumulation, exacerbating the effect from thermal diffusion. It is concluded that the spread in the results is larger than the experimental errors of the cases investigated, and that the simulations predict lean flames much better than rich flames. Novelty and significance statement The novelty of this work is the analysis of how different Lennard Jones parameters from published studies affect simulations of laminar burning velocity, and premixed and non-premixed extinction. While LBV is not affected ESR is affected. The significance of this is in the development of kinetic mechanisms, where choice of LJ parameters may induce selection of erroneous chemistry to represent extinction. It is shown that the selection of transport formulation and LJ parameters affect the flame structure with respect to fuel concentration and radical pool.
(Less)
- author
- Passad, Martin
LU
and Nilsson, Elna J.K.
LU
- organization
- publishing date
- 2025-10
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Chemical kinetics, Extinction strain rate, Lennard Jones parameters, n-Heptane, Non-premixed flames, Premixed flames
- in
- Combustion and Flame
- volume
- 280
- article number
- 114238
- publisher
- Elsevier
- external identifiers
-
- scopus:105012468585
- ISSN
- 0010-2180
- DOI
- 10.1016/j.combustflame.2025.114238
- language
- English
- LU publication?
- yes
- id
- a9ae7767-5e5c-4a52-9b12-1022dc54e88c
- date added to LUP
- 2025-11-04 09:13:55
- date last changed
- 2025-11-18 10:19:37
@article{a9ae7767-5e5c-4a52-9b12-1022dc54e88c,
abstract = {{<p>The present work presents extinction strain rates in both premixed and non-premixed cases for n-heptane flames, simulated with different transport formulations and a range of Lennard-Jones parameter sets. Although mixture-average and multi-component transport formulations give similar results, the inclusion of thermal diffusion has a larger impact. Thermal diffusion creates an accumulation of n-heptane just upstream of the flame front, which affects the radical pool. Transport parameters with lower diffusivity have a larger accumulation, exacerbating the effect from thermal diffusion. It is concluded that the spread in the results is larger than the experimental errors of the cases investigated, and that the simulations predict lean flames much better than rich flames. Novelty and significance statement The novelty of this work is the analysis of how different Lennard Jones parameters from published studies affect simulations of laminar burning velocity, and premixed and non-premixed extinction. While LBV is not affected ESR is affected. The significance of this is in the development of kinetic mechanisms, where choice of LJ parameters may induce selection of erroneous chemistry to represent extinction. It is shown that the selection of transport formulation and LJ parameters affect the flame structure with respect to fuel concentration and radical pool.</p>}},
author = {{Passad, Martin and Nilsson, Elna J.K.}},
issn = {{0010-2180}},
keywords = {{Chemical kinetics; Extinction strain rate; Lennard Jones parameters; n-Heptane; Non-premixed flames; Premixed flames}},
language = {{eng}},
publisher = {{Elsevier}},
series = {{Combustion and Flame}},
title = {{Impact of transport data on extinction strain rate of n-heptane flames}},
url = {{http://dx.doi.org/10.1016/j.combustflame.2025.114238}},
doi = {{10.1016/j.combustflame.2025.114238}},
volume = {{280}},
year = {{2025}},
}