Acetaldehyde oxidation at low and intermediate temperatures: An experimental and kinetic modeling investigation

Zhang, Xiaoyuan; Ye, Lili; Li, Yuyang; Zhang, Yan; Cao, Chuangchuang; Yang, Jiuzhong; Zhou, Zhongyue; Huang, Zhen; Qi, Fei

doi:10.1016/j.combustflame.2018.01.027

Cited by 45 publications

(35 citation statements)

References 69 publications

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“…to confirm important trends obtained in the JSR-GC experiments, (ii) to detect species that cannot be measured by GC such as hydroperoxide species, and (iii) to assist in the identification of important LT intermediates. A detailed description of the apparatus is available in [18,19].…”

Section: Combination Of Jsr and Svuv-pi-mbms (Hefei)mentioning

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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Section: Combination Of Jsr and Svuv-pi-mbms (Hefei)mentioning

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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“…In addition, the crystal parameters were calculated and found at 8.371 Å (a = b = c = 8.371 Å) which was slightly larger than that of pristine NiFe 2 O 4 (8.339 Å). The volume of the CuNFNPs cell was estimated via the basic equation of cubic structure and found equal to 586.56 Å 3 which was larger than that of pure nickel ferrite (579.89 Å 3 ). The expansion of the crystal volume of the designed CuNFNPs can be attributed to the doping of Cu 2+ which has slightly larger radii than Ni 2+ .…”

Section: Resultsmentioning

confidence: 97%

A facile chemical synthesis of CuxNi(1−x)Fe2O4 nanoparticles as a nonprecious ferrite material for electrocatalytic oxidation of acetaldehyde

Khalaf

El‐Lateef

Alnajjar

et al. 2020

Sci Rep

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In the present work, Cu-doped nickel ferrite (Cu x ni (1−x) fe 2 o 4) nanoparticles (cunfnps) were chemically fabricated by adding citric acid as a capping agent followed by combustion and calcination for acetaldehyde oxidation reaction (AOR) in KOH electrolytes. The as-prepared CuNFNPs were studied in terms of Fourier-transform infrared spectroscopy (FT-IR), Transmission electron microscopy (TEM), Field emission scanning electron microscope (FE-SEM), Energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD) and Brunauer-Emmett-Teller (BET) specific surface area analyses. The morphology of CuNFNPs has sponges-structure containing irregular pores. Additionally, XRD analysis indicated that the prepared CuNFNPs have a cubic-crystals ferrite without the existence of impurities and the crystal size around 20.2 nm. The electrooxidation of acetaldehyde by the presented CuNFNPs was investigated using cyclic voltammetry (CV), chronoamperometry (CA) and electrochemical impedance spectroscopy (eiS) in − OH media. Furthermore, the effects of − OH and acetaldehyde on the electrocatalytic performance were studied with and without Cu-doping in addition to EIS and CA studies which confirm the high-performance of cunfnps as an electrocatalyst for AoR. Electrocatalytic degradation of aldehydes which have the highest potential among the volatile organic compounds continues to be one of the interesting research points because it can be utilized for different catalytic industrial application areas 1. Aldehydes including acetaldehyde can be produced through alcohol electrooxidation besides the degradation of contaminated organic compounds 2. It's a combustion intermediate of biofuels and fossil fuels and biofuels 3. Due to aldehydes emission ability to the outer atmosphere, it is important to remove aldehydes before its emission. Electrocatalytic oxidation can be applied and considered as one of the best techniques because of low-operating temperature, and energy consumption. In spite of the reported literature, the research on the acetaldehyde electrooxidation remains far from commercialization. Compared to ethanol, methanol, formic acid, and urea, the acetaldehyde electrooxidation reaction (AOR) was scarcely reported in the literature 4,5. Therefore, this study focusses on the AOR at the surface of novel and non-precious material. Acetaldehyde (CH 3-CH=O) is the simplest structure having CC species with different polarity and, as such, may be easily studied as a model for the investigation of CC bond cleavage. Therefore, it would be worth studying how the aldehydes compounds which may produce as intermediates in fuel cells could be oxidized to CO 2. The AOR has similar intermediates of ethanol (CH 3-CH 2 OH) electrooxidation which is the anodic process of ethanol fuel cells (EFCs), i.e. CH 3 CO (ads) , CH x(ads) and CO (ads) 4,6. These intermediates can finally produce acetic acid and/ or CO 2. Therefore, the investigation of AOR appears to have a high potential in the process of EFCs. The utilized electrocatalyst for AOR ...

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“…The experiment was performed at the National Synchrotron Radiation Laboratory (NSRL) in Hefei, China. The VUV beamline and the JSR oxidation apparatus were introduced in our recent work [33][34][35], only brief introduction about the JSR oxidation apparatus will be provided here. An electrically heated silica JSR with a volume of 102 cm 3 was used in this work.…”

Section: Methodsmentioning

confidence: 99%

“…For hydroperoxides, the PICSs were estimated using the group addition method [39]. The uncertainties of evaluated mole fractions are about ±20% for major species, ±50% for intermediates with known PICSs, and a factor of 2 for those with estimated PICSs [34].…”

Section: Methodsmentioning

confidence: 99%

Exploring the low-temperature oxidation chemistry of cyclohexane in a jet-stirred reactor: An experimental and kinetic modeling study

Zou

et al. 2018

Chinese Journal of Chemical Physics

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We report the investigation on the low-temperature oxidation of cyclohexane in a jet-stirred reactor over 500−742 K. Synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) was used for identifying and quantifying the oxidation species. Major products, cyclic olefins, and oxygenated products including reactive hydroperoxides and high oxygen compounds were detected. Compared with n-alkanes, a narrow low-temperature window (∼80 K) was observed in the low-temperature oxidation of cyclohexane. Besides, a kinetic model for cyclohexane oxidation was developed based on the CNRS model [Combust. Flame 160, 2319 (2013)], which can better capture the experimental results than previous models. Based on the modeling analysis, the 1,5-H shift dominates the crucial isomerization steps of the first and second O 2 addition products in the low-temperature chain branching process of cyclohexane. The negative temperature coefficient behavior of cyclohexane oxidation results from the reduced chain branching due to the competition from chain inhibition and propagation reactions, i.e. the reaction between cyclohexyl radical and O 2 and the decomposition of cyclohexylperoxy radical, both producing cyclohexene and HO 2 radical, as well as the decomposition of cyclohexylhydroperoxy radical producing hex-5-en-1-al and OH radical.

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Acetaldehyde oxidation at low and intermediate temperatures: An experimental and kinetic modeling investigation

Cited by 45 publications

References 69 publications

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

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

A facile chemical synthesis of CuxNi(1−x)Fe2O4 nanoparticles as a nonprecious ferrite material for electrocatalytic oxidation of acetaldehyde

Exploring the low-temperature oxidation chemistry of cyclohexane in a jet-stirred reactor: An experimental and kinetic modeling study

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