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Modelling of laminar diffusion flames with biodiesel blends and soot formation

Liu, Anxiong; Gao, Zhan; Rigopoulos, Stelios; Luo, Kai H; Zhu, Lei; (2022) Modelling of laminar diffusion flames with biodiesel blends and soot formation. Fuel , 317 , Article 122897. 10.1016/j.fuel.2021.122897. Green open access

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Abstract

Modelling of soot formation and oxidation of biodiesel fuels is a challenge, due to the complexity of the chemical reactions and soot formation pathways. In this paper, the discretised population balance approach and a PAH-HACA based detailed soot model have been coupled with an in-house CFD code to simulate a laminar diffusion flame with blends of different components of oxygenated biodiesel fuel, and employed to predict combustion performance and soot formation. The simulation aims to reproduce a target experiment which investigated the effects of dibutyl ether (DBE) addition to the biodiesel surrogate (methyl decanoate, MD) by increasing the mole fraction of DBE from 0 to 40%. A combined and reduced MD–DBE–PAH mechanism developed from three sub-mechanism branches has been employed in the simulation. The simulation results show that temperature rises as the DBE percentage increases to 40%. The swallow-tail shape of the soot occurrence zone and the quantity of soot production are correctly predicted. Regarding the effect of soot suppression, the model has basically captured the reducing tendency of soot formation in the measurements as the DBE addition increases from 0% to 40%. Concentrations of PAHs and C3 species contributing to the formation of aromatic rings are slightly reduced due to the addition of DBE, which is a leading cause of soot suppression. However, on the whole, the numerical solution featured much smaller differences than those observed in the experiment among laminar flames with different MD/DBE ratios, because the combined MD–DBE–PAH mechanism only present a slight difference of concentrations of soot precursor species.

Type: Article
Title: Modelling of laminar diffusion flames with biodiesel blends and soot formation
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.fuel.2021.122897
Publisher version: https://doi.org/10.1016/j.fuel.2021.122897
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher's terms and conditions.
Keywords: biodiesel, methyl decanoate, dibutyl ether, soot suppression, detailed soot model, sectional population balance model
UCL classification: UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Mechanical Engineering
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL
URI: https://discovery-pp.ucl.ac.uk/id/eprint/10143169
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