A laminar flame study on di-n-butyl ether as a potential biofuel candidate

Wullenkord, Julia; Tran, Luc-Sy; Böttchers, Julia; Graf, Isabelle; Kohse‐Höinghaus, Katharina

doi:10.1016/j.combustflame.2017.11.006

Cited by 29 publications

(21 citation statements)

References 47 publications

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“…The development of future oxygenated lignocellulosic biofuels has put di-n-butyl ether (DBE) at the ranking of the most promising lignocellulosic biofuel and fuel additive [ 5 ]. Various experimental studies have highlighted the combustion characteristics of di-n-butyl ether and its effect on the performance of engines and injection systems [ 6 , 7 , 8 ], particle emissions [ 9 ], soot formation [ 10 , 11 ], and flame characteristics [ 12 ]. The combustion of di-n-butyl ether has been explored in different experimental systems and over various temperature and pressure ranges.…”

Section: Introductionmentioning

confidence: 99%

Towards a Comprehensive Characterization of the Low-Temperature Autoxidation of Di-n-Butyl Ether

et al. 2021

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In the present study, we investigated the oxidation of 2500 ppm of di-n-butyl ether under fuel-rich conditions (φ = 2) at low temperatures (460–780 K), a residence time of 1 s, and 10 atm. The experiments were carried out in a fused silica jet-stirred reactor. Oxidation products were identified and quantified in gas samples by gas chromatography and Fourier transform infrared spectrometry. Samples were also trapped through bubbling in cool acetonitrile for high-pressure liquid chromatography (HPLC) analyses. 2,4-dinitro-phenylhydrazine was used to derivatize carbonyl products and distinguish them from other isomers. HPLC coupled to high resolution mass spectrometry (Orbitrap Q-Exactive®) allowed for the detection of oxygenated species never observed before, i.e., low-temperature oxidation products (C8H12O4,6, C8H16O3,5,7, and C8H18O2,5) and species that are more specific products of atmospheric oxidation, i.e., C16H34O4, C11H24O3, C11H22O3, and C10H22O3. Flow injection analyses indicated the presence of high molecular weight oxygenated products (m/z > 550). These results highlight the strong similitude in terms of classes of oxidation products of combustion and atmospheric oxidation, and through autoxidation processes. A kinetic modeling of the present experiments indicated some discrepancies with the present data.

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Section: Introductionmentioning

confidence: 99%

Towards a Comprehensive Characterization of the Low-Temperature Autoxidation of Di-n-Butyl Ether

et al. 2021

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“…While DBE has been extensively examined under engine conditions [2][3][4][5]9,10], the fundamental oxidation chemistry of this fuel is not similarly well investigated. Recent studies address the high temperature (HT) oxidation of DBE, including the measurements of ignition delay times in a shock tube [11], premixed laminar flame speeds [12], and gaseous species [13] or soot particles [14] in flames. The low-temperature (LT) oxidation of DBE was addressed in a study of Cai et al [12] who determined ignition delay times of DBE/air mixtures in the range of 485-525 K at atmospheric pressure.…”

Section: Introductionmentioning

confidence: 99%

Probing the low-temperature chemistry of di-n-butyl ether: Detection of previously unobserved intermediates

Tran

Wullenkord

et al. 2019

Combustion and Flame

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Din -butyl ether (DBE, C8H18O) has been proposed as a promising biofuel for diesel engines, but details of its low-temperature (LT) oxidation chemistry are not well understood. This paper reports new speciation data obtained in the temperature range of 400-1100 K at ϕ=1 and nearly-atmospheric pressure, using a plug flow reactor (PFR) combined with electron ionization (EI) molecular-beam mass spectrometry (MBMS) and two different jet-stirred reactors (JSRs) coupled with either online gas chromatography (GC) or tunable synchrotron vacuum ultraviolet (SVUV) photoionization (PI)-MBMS. The experimental results confirm that DBE is very reactive and exhibits two negativetemperature coefficient (NTC) zones around 500-550 K and 650-750 K. Speciation data with about 40 C0-C8 species are presented, including about 20 LT species not reported previously. Among those, fuel-specific C8H16O2 cyclic ethers were quantified. Also, butanoic acid, which is present in highest amounts among the detected LT intermediates, and C8H14O3 diones, were found to peak already near 500 K, suggesting their importance in the LT chemistry of DBE. Signals of several highly oxygenated peroxides (e.g., C8H14O5 and C8H16O6) were detected, indicating third O2 addition steps. Respective reaction pathways are suggested and discussed based on these experimental results. To better understand the LT chemistry of DBE, the present data were compared to two recent DBE models [L. Cai et al. Combust. Flame. 161 (2014) 798-809 and S. Thion et al. Combust. Flame 185 (2017) 4-15]. Significant discrepancies between the experimental data and both models were found for important LT intermediates, of which many were not included in the respective mechanisms. The results reported in the present study thus provide new opportunities for refining DBE kinetic models.

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“…Guan et al [6] measured ignition delay times of diluted mixtures of DBE/O2/Ar over 1100 -1570 K, 1.2 -4 bar, and equivalence ratios of 0.5 -1. Wullenkord et al [7] carried out a low-pressure (30 Torr) flame speciation study of DBE at fuel-lean ( = 0.8) and fuel-rich ( = 1.5) conditions by coupling to an electron-ionization molecular beam mass spectrometry (EI-MBMS) system. They detected nearly 50 species with relatively high concentration of n-butanal, and it was identified to be an important fuelspecific intermediate in DBE flames.…”

Section: Introductionmentioning

confidence: 99%

Ignition delay time and speciation of dibutyl ether at high pressures

Hakimov

Arafin

Aljohani

et al. 2021

Combustion and Flame

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Dibutyl ether (DBE) is a promising biofuel due to its high cetane number (~ 100) and high volumetric energy density (31.6 MJ/L). It could either be used directly in compression ignition engines or blended with other conventional or renewable fuels. Oxidation and pyrolysis kinetics of DBE are not well known, particularly at high pressures. In this work, we have experimentally investigated the chemical kinetics of DBE in three domains: (a) ignition delay time measurements in a rapid compression machine over T = 550 -650 K, P = 10, 20, 40 bar,  = 0.5, 1; (b) ignition delay time measurements in a shock tube over T = 900 -1300 K, P = 20, 40 bar,  = 0.5, 1; (c) laser-based carbon monoxide speciation measurements in a shock tube during DBE pyrolysis and oxidation over T = 1100 -1400 K, P = 20 bar. Pressure timehistories measured in RCM experiments exhibited unique 3-stage and 4-stage ignition behavior predominantly at fuel-lean conditions. Experimental data were compared with the predictions of two recent chemical kinetic models of DBE. Sensitivity analyses were carried out to identify key reactions which may have caused the discrepancy between experiments and simulations. It was found that the rate of decomposition of DBE may need to be revisited to improve the oxidative and pyrolytic predictions of DBE kinetic model.

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A laminar flame study on di-n-butyl ether as a potential biofuel candidate

Cited by 29 publications

References 47 publications

Towards a Comprehensive Characterization of the Low-Temperature Autoxidation of Di-n-Butyl Ether

Towards a Comprehensive Characterization of the Low-Temperature Autoxidation of Di-n-Butyl Ether

Probing the low-temperature chemistry of di-n-butyl ether: Detection of previously unobserved intermediates

Ignition delay time and speciation of dibutyl ether at high pressures

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