Reduced Kinetic Mechanism for Modeling High-Temperature\nIgnition and Flames for <i>n</i>‑Pentanol

<i>n</i>-Pentanol has emerged as a promising substitute\nfor fossil fuels due to its potential in reducing greenhouse gas emissions.\nThis work presents a reduced combustion mechanism for modeling high-temperature\nignition (<i>T</i> > 1000 K) and flames for <i>n</i>-pentanol/air mixtures. The model comprises only 64 species and 282\nchemical reactions. As we know, this is the first comprehensive study\nto include all available experimental data for these phenomena and\nthis specific fuel/oxidizer mixture, reported in the literature. Our\napproach involves coupling a detailed submechanism for <i>n</i>-pentanol to the San Diego mechanism, a reduced scheme for C<sub>1</sub>–C<sub>4</sub> hydrocarbons, followed by a systematic\nreduction process, mainly using sensitivity analysis and steady-state\napproximation. We quantitatively assessed the agreement between experimental\ndata and simulation results using deviation or error indicators along\nwith graphical comparisons. Remarkably, the ignition delay times and\nflame speeds calculated using the reduced kinetic model exhibit a\nhigh agreement with the experimental data reported in the literature.

Publication Details

Journal
Figshare
Published
2024-09-04
DOI
https://doi.org/10.1021/acsomega.4c05180.s001
Primary Topic
Mycorrhizal Fungi and Plant Interactions
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article
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article

Reduced Kinetic Mechanism for Modeling High-Temperature\nIgnition and Flames for n‑Pentanol

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Mycorrhizal Fungi and Plant Interactions
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Reduced Kinetic Mechanism for Modeling High-Temperature\nIgnition and Flames for n‑Pentanol

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Abstract

<i>n</i>-Pentanol has emerged as a promising substitute\nfor fossil fuels due to its potential in reducing greenhouse gas emissions.\nThis work presents a reduced combustion mechanism for modeling high-temperature\nignition (<i>T</i> > 1000 K) and flames for <i>n</i>-pentanol/air mixtures. The model comprises only 64 species and 282\nchemical reactions. As we know, this is the first comprehensive study\nto include all available experimental data for these phenomena and\nthis specific fuel/oxidizer mixture, reported in the literature. Our\napproach involves coupling a detailed submechanism for <i>n</i>-pentanol to the San Diego mechanism, a reduced scheme for C<sub>1</sub>–C<sub>4</sub> hydrocarbons, followed by a systematic\nreduction process, mainly using sensitivity analysis and steady-state\napproximation. We quantitatively assessed the agreement between experimental\ndata and simulation results using deviation or error indicators along\nwith graphical comparisons. Remarkably, the ignition delay times and\nflame speeds calculated using the reduced kinetic model exhibit a\nhigh agreement with the experimental data reported in the literature.

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Mycorrhizal Fungi and Plant Interactions
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Reduced Kinetic Mechanism for Modeling High-Temperature\nIgnition and Flames for <i>n</i>‑Pentanol · Figshare (2024) | TGRS Research Map | TGRS