Abstract
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.
Highlights
The use of fossil fuels contributes to anthropogenic emissions of CO2 and the formation of particles in the atmosphere, which are harmful to the ecosystem and cause health problems [1]
Tran et al [15] studied the oxidation of di-n-butyl ether at 400–1100 K and the nearly atmospheric pressure using different experimental systems, i.e., a plug flow reactor (PFR) combined with electron ionization molecular-beam mass spectrometry (EIMBMS) as well as two different jet-stirred reactors with either online gas chromatography or synchrotron vacuum ultraviolet photoionization molecular-beam mass spectrometry (SVUV-PI-MBMS)
Molecules 2021, 26, 7174 chemical species, i.e., H2, CO, CO2, H2O, alkanes, olefines, carbonyls, carboxylic acids, alcohols, and low mass cyclic ethers. All these compounds were identified by Fourier transform infrared spectrometry (FTIR), gas chromatography (GC), or liquid chromatography (LC-High resolution mass spectrometry (HRMS)) using standards
Summary
The use of fossil fuels contributes to anthropogenic emissions of CO2 and the formation of particles in the atmosphere, which are harmful to the ecosystem and cause health problems [1]. Tran et al [15] studied the oxidation of di-n-butyl ether at 400–1100 K and the nearly atmospheric pressure using different experimental systems, i.e., a plug flow reactor (PFR) combined with electron ionization molecular-beam mass spectrometry (EIMBMS) as well as two different jet-stirred reactors with either online gas chromatography or synchrotron vacuum ultraviolet photoionization molecular-beam mass spectrometry (SVUV-PI-MBMS). They confirmed two negative temperature coefficient zones around 500–550 K and 650–750 K, as reported earlier by Thion et al [14]. They proposed a detailed chemical kinetic reaction mechanism to simulate their experiments [15]
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
