The oxidation of hydrogen cyanide and related chemistry

Dagaut, Philippe; Glarborg, Peter; Alzueta, María U.

doi:10.1016/j.pecs.2007.02.004

Cited by 312 publications

(240 citation statements)

References 209 publications

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“…The burnt gases at the farthest distance from the burner were assumed to consist of Ar and the products CO, CO 2 , H 2 , H 2 O, N 2 , and NO. (The mole fractions of NH 3 and HCN at this position turned out to be small enough for this assumption to be reasonable.) The mole fractions of these products in the exhaust gas were derived from the measured ratios of CO/CO 2 and NO/N 2 using the respective element balances, then assuming the remaining oxygen to be bound in H 2 O, and, with the H 2 O mole fraction determined, the remaining hydrogen bound in H 2 .…”

Section: Methodsmentioning

confidence: 90%

“…This is followed by formation of a stable unsaturated molecule (C 2 H 5 N at mass 43) or by β-scission, with stable and radical scission products including CH 3 and H 2 C=NH, as well as C 2 H 4 and NH 2 . Such combinations of Habstraction and β-scission have been also found helpful in the fuel decomposition for morpholine combustion [17,82].…”

Section: Resultsmentioning

confidence: 99%

“…The starting mechanism was drawn from the recent study of NH 3 -doped CH 4 /O 2 /Ar flames [13]. This mechanism relied on work on the oxidation of C 1 /C 2 -hydrocarbons [55,56], NH 3 [57], and HCN [3], as well as interactions of these components [11,55,58,59]. Thermal NO and prompt NO formation mechanisms [1,60] are not important in the present flames due to the high concentrations of amines.…”

Section: Reaction Mechanismmentioning

confidence: 99%

“…First, detailed reaction schemes which keep track of the formation and destruction of small nitrogenated compounds in combustion, including e.g. NO, HCN, NH 3 , HNO, and HNCO, and the dominant reactions that influence their interconversion have been investigated and discussed for a wide range of conditions [2][3][4]. Second, the introduction of alternative transportation fuels such as biodiesel has led to the re-evaluation of NO x formation [5], given that different fuel structures entail a different reactive species mix.…”

Section: Introductionmentioning

confidence: 99%

“…Recent investigation of the combustion chemistry of morpholine as a potential model biofuel which presents a secondary amine and an ether function has reported a complex intermediate species pool, quantified from a combination of photoionization (PI) and electron ionization (EI) molecular beam mass spectrometry (MBMS) [17]. Modeling of this rich chemistry showed remarkable agreement for some of the small nitrogen compounds, but was not yet satisfactory to predict some steps in the early fuel decomposition leading to NH 2 and NH 3 . Evidence from cavity ringdown spectroscopy (CRDS) experiments in this flame also showed early NH 2 formation [18], and more information would be desirable on the thermochemistry and kinetics of potential further ammonia-related pathways.…”

Section: Introductionmentioning

confidence: 99%

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Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels

Lucassen

Zhang

Warkentin

et al. 2012

Combustion and Flame

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Laminar premixed flames of the two smallest isomeric amines, dimethylamine and ethylamine, were investigated under one-dimensional low-pressure (40 mbar) conditions with the aim to elucidate pathways that may contribute to fuel-nitrogen conversion in the combustion of biomass. For this, identical flames of both fuels diluted with 25% Ar were 2 studied for three different stoichiometries (Φ=0.8, 1.0, and 1.3) using in situ molecular-beam mass spectrometry (MBMS). Quantitative mole fractions of reactants, products and numerous stable and reactive intermediates were determined by electron ionization (EI) MBMS with high mass resolution to separate overlapping features from species with different heavy elements by exact mass. Species assignment was assisted by using single-photon vacuum- We attempted to analyze the major pathways in the two flames with a detailed combustion model developed for this purpose. For this, thermochemical values for a number of intermediates had to be determined from quantum chemistry calculations. Also, specific sets of reactions were incorporated for the two fuels. While many trends seen in the experiments can be successfully reproduced by the simulations, additional efforts may be needed to reliably describe the fuel-nitrogen chemistry in the combustion of biomass-related model fuels with amine functions.

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Section: Methodsmentioning

confidence: 90%

Section: Resultsmentioning

confidence: 99%

Section: Reaction Mechanismmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels

Lucassen

Zhang

Warkentin

et al. 2012

Combustion and Flame

View full text Add to dashboard Cite

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Verbrennungschemie der Biokraftstoffe: von Ethanol bis Biodiesel

et al. 2010

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Biokraftstoffe wie Bioethanol, Biobutanol und Biodiesel erfahren zunehmendes Interesse als Alternativen zu Brennstoffen auf Erdölbasis, denn sie versprechen als regenerierbare Energieträger eine langfristige und nachhaltige Perspektive mit vorteilhafter Klimabilanz. Gegenwärtige Diskussionen befassen sich mit der Produktion dieser Brennstoffe, ihrer Kompatibilität mit vorhandenen Motoren und Versorgungsstrukturen sowie der Konkurrenz zwischen der Herstellung von Biokraftstoffen und Nahrungsmitteln. Die Verbrennungschemie der Biokraftstoffe hat dagegen bisher nur wenig Aufmerksamkeit erfahren. In diesem Aufsatz beschreiben wir wesentliche Aspekte der chemischen Reaktionswege bei der Verbrennung prototypischer Vertreter potenzieller Biokraftstoffe wie Alkohole, Ether und Ester. Im Vordergrund stehen dabei die Zersetzungs‐ und Oxidationsmechanismen sowie mögliche unerwünschte Emissionen. Neue experimentelle Methoden und Modellstudien erlauben detaillierte Einblicke in die hochkomplexen Netzwerke chemischer Reaktionen bei der Verbrennung von Biokraftstoffen. Die Chemie dieser Prozesse zu verstehen ist eine wichtige Voraussetzung für die verantwortungsbewusste Auswahl alternativer Kraftstoffe der nächsten Generation.

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Biofuel Combustion Chemistry: From Ethanol to Biodiesel

et al. 2010

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Biofuels, such as bio-ethanol, bio-butanol, and biodiesel, are of increasing interest as alternatives to petroleum-based transportation fuels because they offer the long-term promise of fuel-source regenerability and reduced climatic impact. Current discussions emphasize the processes to make such alternative fuels and fuel additives, the compatibility of these substances with current fuel-delivery infrastructure and engine performance, and the competition between biofuel and food production. However, the combustion chemistry of the compounds that constitute typical biofuels, including alcohols, ethers, and esters, has not received similar public attention. Herein we highlight some characteristic aspects of the chemical pathways in the combustion of prototypical representatives of potential biofuels. The discussion focuses on the decomposition and oxidation mechanisms and the formation of undesired, harmful, or toxic emissions, with an emphasis on transportation fuels. New insights into the vastly diverse and complex chemical reaction networks of biofuel combustion are enabled by recent experimental investigations and complementary combustion modeling. Understanding key elements of this chemistry is an important step towards the intelligent selection of next-generation alternative fuels.

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The oxidation of hydrogen cyanide and related chemistry

Cited by 312 publications

References 209 publications

Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels

Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels

Verbrennungschemie der Biokraftstoffe: von Ethanol bis Biodiesel

Biofuel Combustion Chemistry: From Ethanol to Biodiesel

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