Numerical Investigation of Syngas Fueled HCCI Engine Using Stochastic Reactor Model with Detailed Kinetic Mechanism

2018 ◽  
Author(s):  
Rakesh Kumar Maurya ◽  
Mohit Raj Saxena ◽  
Rahul Yadav ◽  
Akshay Rathore
Keyword(s):  
Numerical Investigation ◽  
Kinetic Mechanism ◽  
Reactor Model ◽  
Hcci Engine ◽  
Detailed Kinetic Mechanism

Numerical Investigation of Recompression and Fuel Reforming in a SIDI-HCCI Engine

2007 ◽  
Author(s):  
C. Felsch ◽  
T. Sloane ◽  
J. Han ◽  
H. Barths ◽  
A. Lippert
Keyword(s):  
Numerical Investigation ◽  
Fuel Reforming ◽  
Hcci Engine

Detailed kinetics of hydrogen abstraction from trans-decalin by OH radicals: the role of hindered internal rotation treatment

2020 ◽  
Vol 22 (44) ◽  
pp. 25740-25746
Author(s):  
Tam V.-T. Mai ◽  
Lam K. Huynh
Keyword(s):  
Master Equation ◽  
Hydrogen Abstraction ◽  
Kinetic Mechanism ◽  
Oh Radicals ◽  
Rate Model ◽  
Wide Range ◽  
Detailed Kinetics ◽  
Kinetics Of ◽  
Detailed Kinetic Mechanism

The detailed kinetic mechanism of the trans-decalin + OH reaction is firstly investigated for a wide range of conditions (T = 200–2000 K & P = 0.76–76000 Torr) using the M06-2X/aug-cc-pVTZ level and stochastic RRKM-based Master equation rate model.

Nitroalkanes as Reductive Substrates for Flavoprotein Oxidases

1972 ◽  
Vol 27 (9) ◽  
pp. 1052-1053 ◽  
Author(s):  
David J. T. Porter ◽  
Judith G. Voet ◽  
Harold J. Bright
Keyword(s):  
Hydrogen Peroxide ◽  
Amino Acid ◽  
Glucose Oxidase ◽  
Ph Dependence ◽  
Kinetic Mechanism ◽  
Acid Oxidase ◽  
Amino Acid Oxidase ◽  
Kinetics Of ◽  
Oxidase Reaction ◽  
Detailed Kinetic Mechanism

Nitroalkanes have been found to be general reductive substrates for D-amino acid oxidase, glucose oxidase and L-amino acid oxidase. These enzymes show different specificities for the structure of the nitroalkane substrate.The stoichiometry of the D-amino acid oxidase reaction is straightforward, consisting of the production of one mole each of aldehyde, nitrite and hydrogen peroxide for each mole of nitroalkane and oxygen consumed. The stoichiometry of the glucose oxidase reaction is more complex in that less than one mole of hydrogen peroxide and nitrite is produced and nitrate and traces of 1-dinitroalkane are formed.The kinetics of nitroalkane oxidation show that the nitroalkane anion is much more reactive in reducing the flavin than is the neutral substrate. The pH dependence of flavin reduction strongly suggests that proton abstraction is a necessary event in catalysis. A detailed kinetic mechanism is presented for the oxidation of nitroethane by glucose.It has been possible to trap a form of modified flavin in the reaction of D-amino acid oxidase with nitromethane from which oxidized FAD can be regenerated in aqueous solution in the presence of oxygen.

DNS on Autoignition and Flame Propagation of Inhomogeneous Methane–Air Mixtures in a Closed Vessel

2011 ◽  
Author(s):  
Makito Katayama ◽  
Naoya Fukushima ◽  
Masayasu Shimura ◽  
Mamoru Tanahashi ◽  
Toshio Miyauchi
Keyword(s):  
Heat Release ◽  
Flame Propagation ◽  
Heat Release Rate ◽  
Release Rate ◽  
Equivalence Ratio ◽  
Kinetic Mechanism ◽  
Spatial Inhomogeneity ◽  
Closed Vessel ◽  
Isothermal Wall ◽  
Detailed Kinetic Mechanism

Direct numerical simulations (DNSs) on autoignition and flame propagation of inhomogeneous methane–air mixtures in a closed vessel are conducted with considering detailed kinetic mechanism and temperature dependence of transport and thermal properties. The mixtures with spatial inhomogeneity of temperature or equivalence ratio are investigated. Periodic condition for non-heatloss cases or isothermal wall condition for heatloss cases is imposed on the boundaries. From the DNS results without heatloss, effects of spatial inhomogeneity of temperature and equivalence ratio on mean heat release rate are clarified. Increase of spatial variations of temperature or equivalence ratio suppresses drastic rise of mean heat release rate and reduces its maximum value. Autoignition process is affected by temperature more strongly than equivalence ratio. In the cases with heatloss, ignition delay increases and the maximum mean heat release rate decreases. After autoignition process, propagating flame is formed along walls. Heat transfer characteristics in a closed vessel are also discussed with combustion mechanisms.

Skeletal Mechanism for C2H4 Combustion With PAH Formation

2008 ◽  
Author(s):  
N. Slavinskaya ◽  
A. Zizin ◽  
M. Braun-Unkhoff ◽  
C. Lenfers
Keyword(s):  
Experimental Data ◽  
Laminar Flame ◽  
Polyaromatic Hydrocarbons ◽  
Kinetic Mechanism ◽  
Ignition Delay Times ◽  
Delay Times ◽  
Skeletal Model ◽  
Temporal Profiles ◽  
Detailed Kinetic Mechanism ◽  
Good Agreement

A semi-detailed kinetic mechanism with 100 species and 816 reactions for ethylene combustion including PAH formation was elaborated. The model includes the C2H5OH sub mechanism combustion as well. This mechanism has in view to be the base of further kinetic schemes of practical fuels (reference fuels). The mechanism was reduced to a skeletal model with 72 species and 580 reactions. The elaborated models were validated on experimental data bases of heat release as well as formation of polyaromatic hydrocarbons and soot in laminar premixed C2H4, C2H4 / C2H5OH flames taken from literature. The calculated ignition delay times, laminar flame speeds, as well as temporal profiles of small and large aromatics and also soot particles are in good agreement with experimental data obtained for pressures 1 – 5 bar, temperatures T0 = 1100 – 2300 K, fuel/oxygen equivalence ratio φ = 0.5 – 2.

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