Combustion and pyrolysis reactions of alkylated polycyclic aromatic compounds: The decomposition of 13C methylarenes in relation to diesel engine emissions

Lea‐Langton, Amanda; Andrews, Gordon E.; Bartle, Keith D.; Jones, Jenny M.; Williams, Alan

doi:10.1016/j.fuel.2015.05.043

Cited by 10 publications

(9 citation statements)

References 33 publications

(44 reference statements)

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“…A number of other methylated-PAHs were detectable including 1-13 C-and 2-13 C-methylnaphthalenes, with the 13 C label shown to reside in the methyl position, suggesting that re-alkylation of pyrolysis-formed PAHs occurred. Follow-up work investigated the decomposition of methylnaphthalene and methylphenanthrene in a compression ignition engine and a flow cell reactor (Lea-Langton et al, 2015). Similar results were obtained in both systems, which showed that dealkylation was the predominant reaction.…”

Section: Pahsmentioning

confidence: 63%

Isotopic Tracers for Combustion Research

Eveleigh

Ladommatos

2016

Combustion Science and Technology

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This review article deals with the use of isotopic tracers in the field of combustion science. A number of researchers have reported the use of isotopic techniques, which have been employed to solve a wide range of combustion problems. Radioactive and stable isotopes have been utilized as tracers, including isotopes of carbon (13 C and 14 C), oxygen (18 O), and deuterium (D). One of the main applications has been to quantitatively determine the propensity of a molecule in a mixture, or specific atom within a molecule, to form pollutant emissions. Tracer studies have also been used for the elucidation of combustion reaction pathways, and kinetic rate constant determination of elementary reactions. A number of analytical techniques have been used for isotope detection; and the merits of some of the different techniques are discussed in the context of combustion research. This article concludes by exploring emerging methods and potential future techniques and applications.

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Section: Pahsmentioning

confidence: 63%

Isotopic Tracers for Combustion Research

Eveleigh

Ladommatos

2016

Combustion Science and Technology

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“…The release of methane occurs from around 450 °C up to 750 °C, exhibiting two peaks, which consist of a sharp one reached at around 500 °C and a shoulder peak at higher temperature ranges. , Methane is expected to be the most abundant species by weight in gases, and it is mainly derived from C–C cleavages of cycloalkanes and alkyl side chains linked to naphthenic and aromatic moieties. At temperatures higher than 650 °C, the formation of methane is attributed to cleavage of strongly bound aryl–methyl . The evolution profile of ethylene covers a wide temperature range from 400 to 800 °C, with the sharpest peak at around 520 °C.…”

Section: Resultsmentioning

confidence: 99%

Chemical Kinetics of Asphaltene Pyrolysis

et al. 2021

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This work presents a predictive and generally applicable approach to asphaltene pyrolysis modeling. Asphaltenes derived from heavy fuel oil 380 (HFO) were characterized using elemental analysis and FT-ICR MS. The structural information derived from the chemical analysis guided the formulation of five surrogate molecules. The atomic ratios of the surrogate molecules were defined to replicate the elemental composition of each data as their linear combination. This approach makes the model flexible and readily applicable to any asphaltene fraction by only knowing its elemental composition. The formulation of the kinetic model proceeded through chemistry-related considerations on the reactions most likely to take place at a given temperature for each component. The authors also used the experimental data obtained from thermogravimetric analysis (TGA) in an inert atmosphere, either reported in the literature or generated by the authors for the development of the kinetic scheme. The kinetic scheme consists of five first-order reactions. The activation energy (E a) and Arrhenius (A) coefficient were tuned using a subset of the experimental data available and validated with the remaining data. The product distribution of the in-house-produced samples was obtained from a TGA–MS and TGA–FTIR analysis and used to adjust the stoichiometric coefficients together with experimental data reported in the literature. The model presented a satisfactory agreement with the most recent experimental data while showing some discrepancies with older data, which are discussed in the paper. The model reported in this work represents the first step of a more comprehensive project aimed to reconstruct the chemical kinetics of HFOs as a combination of their saturate, aromatic, resin, and asphaltene fractions.

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“…Previously, it was reported that dealkylation of (m)ethylated naphthalenes occurs during thermal degradation, which is supported by model studies on 13 C-labelled methyl arenes. 37 In the presence of a zeolite, the BTX formed by catalytic aromatization of PAH-derived products most likely originates from the alkyl chains of substituted higher aromatics present in the PAH fraction. 36 The catalytic pyrolysis of the PCA fraction produced a biooil in 77 wt% yield on feed, together with water (12 wt%), residual solids (1.3 wt%), and gas (2.3 wt%) (mass balance closure of 93%) (Fig.…”

Section: Resultsmentioning

confidence: 99%