Nitrogen‐Based Alternative Fuels: Progress and Future Prospects

Dana, Alon Grinberg; Shter, Gennady E.; Grader, Gideon S.

doi:10.1002/ente.201500232

Cited by 18 publications

(22 citation statements)

References 85 publications

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“…The effect of N 2 pressure on the ignition of a similar N‐based fuel was investigated recently using a combination of experimental and simulation work . These simulations were performed using a mechanism based on two separate databases . The first integrated HNO 3 reactions into a hydrogen/nitrogen combustion subset .…”

Section: Introductionmentioning

confidence: 53%

“…The effect of He addition on the AIT of UAN has been investigated previously . An increase of the initial He pressure delayed the ignition and increased the AIT value.…”

Section: Resultsmentioning

confidence: 99%

“…The thermal autoignition of UAN has been investigated under several conditions. An increase of the initial He pressure in a batch system was shown to increase the ignition temperature of UAN . This was suggested to result from an increase in the thermal dissociation temperature of ammonium nitrate (AN) with pressure.…”

Section: Introductionmentioning

confidence: 99%

“…It has been shown to be safe and easy to store and transport . The thermal autoignition and continuous combustion of UAN have been previously investigated . The complete combustion of UAN produces mostly H 2 O, N 2 , and CO 2 [Reaction (R].

true 3 NH_{4} NO_{3} + CO (NH_{2})_{2} + x normalH_{2} normalO \to (x + 8) normalH_{2} normalO + 4 normalN_{2} + CO_{2}

…”

Section: Introductionmentioning

confidence: 99%

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Thermal Autoignition of Aqueous Urea Ammonium Nitrate as a Function of Equivalence Ratio, Water Content, and Nitrogen Pressure

et al. 2018

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Aqueous urea ammonium nitrate has been previously suggested as a hydrogen‐carrying monofuel. The addition of helium and water to the fuel is known to increase its autoignition temperature. Nevertheless, both the reason for this behavior and the reaction pathways that lead to the ignition of the fuel are not completely clear. In this work, the effect of fuel‐rich conditions (1.1≤φ≤2.5) on the thermal autoignition of this fuel was investigated. The pre‐ignition reaction network was explored using a kinetic gas‐phase model. Furthermore, the effects of helium, water, and fuel‐rich conditions on these reactions were studied using simulations. The results indicated the autoignition temperature rises with the increase of the urea content of the fuel mixture. Moreover, this behavior was suggested to stem partially from the inhibiting effect of low nitric acid levels on amidogen generation. Additionally, helium and water were identified to act as diluents that increase the pressure and the flux through three‐body reactions. This work provides a valuable in‐depth look into the reactions that lead to the ignition of aqueous urea ammonium nitrate and their dependence on the process parameters.

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Section: Introductionmentioning

confidence: 53%

“…The effect of He addition on the AIT of UAN has been investigated previously . An increase of the initial He pressure delayed the ignition and increased the AIT value.…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

true 3 NH_{4} NO_{3} + CO (NH_{2})_{2} + x normalH_{2} normalO \to (x + 8) normalH_{2} normalO + 4 normalN_{2} + CO_{2}

…”

Section: Introductionmentioning

confidence: 99%

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Thermal Autoignition of Aqueous Urea Ammonium Nitrate as a Function of Equivalence Ratio, Water Content, and Nitrogen Pressure

et al. 2018

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“…Additionally, amine fuel additives are widely used to control fuel injector deposits , yet relatively little is known about their high‐temperature chemistry. Furthermore, describing and predicting combustion processes of nitrogen‐based fuels, such as ammonia and aqueous ammonium‐containing monofuels , heavily depend on understanding nitrogen chemistry in combustion. Finally, nitrogen is present in its molecular form in air, the most common fuel oxidizer.…”

Section: Introductionmentioning

confidence: 99%

Automated Reaction Mechanism Generation Including Nitrogen as a Heteroatom

Dana

Buesser

Merchant

et al. 2018

Int J of Chemical Kinetics

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The open source rate‐based Reaction Mechanism Generator (RMG) software and its thermochemical and kinetics databases were extended to include nitrogen as a heteroatom. Specific changes to RMG and the mining of thermochemistry and reaction kinetics data are discussed. This new version of RMG has been tested by generating a detailed pyrolysis and oxidation model for ethylamine (EA, CH3CH2NH2) at ∼1400 K and ∼2 bar, and comparing it to recent shock tube studies. Validation of the reaction network with recent experimental data showed that the generated model successfully reproduced the observed species as well as ignition delay measurements. During pyrolysis, EA initially decomposes via a CC bond scission, and the CH2NH2 product subsequently produces the first H radicals in this system via β‐scission. As the concentration of H increases, the major EA consuming reaction becomes H abstraction at the α‐site by H radicals, leading to a chain reaction since its product generates more H radicals. During oxidation, the dominant N2‐producing route is mediated by NO and N2O. The observables were found to be relatively sensitive to the CC and CN EA bond scission reactions as well as to the thermodynamic values of EA; thermodynamic data for EA were computed at the CBS‐QB3 level and reported herein. This work demonstrates the ability of RMG to construct adequate kinetic models for nitrogenous species and discusses the pyrolysis and oxidation mechanisms of EA.

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