Experimental and computational study of methane mixtures pyrolysis in a flow reactor under atmospheric pressure

Keramiotis, Ch.; Vourliotakis, George; Skevis, G.; Founti, M.; Esarte, Claudia; Sánchez, Nazly E.; Millera, Ángela; Bilbao, Rafael; Alzueta, María U.

doi:10.1016/j.energy.2012.02.065

Cited by 44 publications

(28 citation statements)

References 47 publications

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“…Depending on reaction time and temperature, the main species are acetylene, ethylene, and benzene always together with a high amount of hydrogen but also species such as propene, propane, 1,3‐butadiene but polycyclic aromatic hydrocarbons (PAHs) and soot are formed as well. Experimental investigations of methane pyrolysis by Nativel et al [ 31 ] in a single‐pulse shock tube and by Keramiotis et al [ 32 ] in a flow reactor showed the same trends. In the shock tube study, in which the decomposition of methane was examined at different temperatures and very short residence times, a methane conversion of up to 80% at a temperature of 2400 K was observed.…”

Section: Introductionmentioning

confidence: 69%

Pyrolysis of Methane and Ethane in a Compression–Expansion Process as a New Concept for Chemical Energy Storage: A Kinetic and Exergetic Investigation

Rudolph

Atakan

2021

Energy Tech

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The production of chemical energy carriers utilizing electrical energy from renewable sources is essential for the future energy system. A motored piston engine may be used as a reactor to convert mechanical to chemical energy by the pyrolysis of methane and ethane; this is analyzed here. The piston engine is modeled as a compression–expansion cycle with detailed chemical kinetics. The main products are hydrogen and high‐energy hydrocarbons such as acetylene, ethylene, and benzene. To reach the required high temperatures for conversion after compression, the educt is diluted with argon. The influence of the operating conditions (temperature, pressure, dilution) on the product gas composition, the stored exergy, and the ratio of exergy gain to work input (efficiency) is investigated. A conversion of >80% is predicted for an argon dilution of 93 mol% at inlet temperatures of 573 K (methane) and 473 K (ethane), respectively. A storage power of 7.5 kW (methane) and 6 kW (ethane) for a 400 ccm four‐stroke single‐cylinder is predicted with an efficiency of 75% (methane) and 70% (ethane), respectively. Conditions are identified, where high yields of the target species are achieved, and soot formation can be avoided.

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Section: Introductionmentioning

confidence: 69%

Pyrolysis of Methane and Ethane in a Compression–Expansion Process as a New Concept for Chemical Energy Storage: A Kinetic and Exergetic Investigation

Rudolph

Atakan

2021

Energy Tech

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“…The model has been extensively validated against experimental data from counterflow and premixed flames, perfectly stirred and plug‐flow reactors, as well as laminar flame speeds and IDTs, under a wide range of conditions (temperatures, pressures, and stoichiometries). In particular, the NTUA mechanism has been utilized in the past for the description of methane‐rich oxidation and pyrolysis . It has also proven to perform well against speciation data from premixed flames of CH 4 , C 2 H 2 , C 2 H 4 , and C 1 –C 2 oxygenated species such as aldehydes and alcohols .…”

Section: Selected Base Chemistriesmentioning

confidence: 99%

The effect of base chemistry choice in a generated n‐hexane oxidation model using an automated mechanism generator

Hilbig

Malliotakis

Seidel³

et al. 2019

Int J of Chemical Kinetics

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The present study describes the utilization of a reaction mechanism generator for the development of chemical kinetic models. The aim of the investigation is twofold. The in‐house developed mechanism generator is updated with reaction classes reported in the literature, and the effect of the lower hydrocarbon chemistry, that is, base chemistry, on the generation process is assessed. For this purpose, the algorithm is implemented on two different base chemistry mechanisms, that have previously been validated against a different range of hydrocarbons, that is, the mechanisms of the groups coauthoring the study. n‐Hexane has been used as a modeling target due to its important role in combustion studies as a surrogate for engine and aviation applications. The steps of the generation process are given in detail as this is the first time the current algorithm is utilized. The two generated mechanisms are compared against speciation data, ignition delay times, and flame velocities from the literature. The overall agreement of the generated mechanisms is satisfying; discrepancies exist in the negative temperature coefficient regime. Reaction path analysis and sensitivity analysis were performed, revealing the reactions that cause the different mechanism performance. Among others, the study reveals that the generated schemes pose a fast and adequate alternative to literature mechanisms; it is however evident that the latter may include more detailed reaction paths and are therefore superior in terms of validation.

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“…Early studies were mainly focused on its ignition property [1][2][3][4] and burning velocity [5][6][7][8]. The oxidation of methane was investigated in flow reactor [9,10], jet-stirred reactor [11][12][13][14], and shock tube [15][16][17]. Kinetic studies on the chemical structures of methane flames started in 1980s [18][19][20].…”

Section: Introductionmentioning

confidence: 99%

Kinetic modeling study of benzene and PAH formation in laminar methane flames

Jin

Frassoldati

Wang

et al. 2015

Combustion and Flame

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Experimental and computational study of methane mixtures pyrolysis in a flow reactor under atmospheric pressure

Cited by 44 publications

References 47 publications

Pyrolysis of Methane and Ethane in a Compression–Expansion Process as a New Concept for Chemical Energy Storage: A Kinetic and Exergetic Investigation

Pyrolysis of Methane and Ethane in a Compression–Expansion Process as a New Concept for Chemical Energy Storage: A Kinetic and Exergetic Investigation

The effect of base chemistry choice in a generated n‐hexane oxidation model using an automated mechanism generator

Kinetic modeling study of benzene and PAH formation in laminar methane flames

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