A Semi-Detailed Chemical Kinetic Mechanism of Acetone-Butanol-Ethanol (ABE) and Diesel Blends for Combustion Simulations

2016 ◽  
Vol 9 (1) ◽  
pp. 631-640 ◽  
Author(s):  
Saifei Zhang ◽  
Zhengxin Xu ◽  
Timothy Lee ◽  
Yilu Lin ◽  
Wei Wu ◽  
...  
Keyword(s):  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Chemical Kinetic Mechanism ◽  
Acetone Butanol Ethanol ◽  
Detailed Chemical

Detailed chemical kinetic mechanism for surrogates of alternative jet fuels

2011 ◽  
Vol 158 (3) ◽  
pp. 434-445 ◽  
Author(s):  
Chitralkumar V. Naik ◽  
Karthik V. Puduppakkam ◽  
Abhijit Modak ◽  
Ellen Meeks ◽  
Yang L. Wang ◽  
...  
Keyword(s):  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Jet Fuels ◽  
Chemical Kinetic Mechanism ◽  
Detailed Chemical

Detailed Chemical Kinetic Modeling of JP-8/Jet-A Ignition and Combustion

2005 ◽  
Author(s):  
M. A. Mawid ◽  
T. W. Park ◽  
B. Sekar ◽  
C. Arana
Keyword(s):  
Reaction Mechanism ◽  
Air Force ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Us Air Force ◽  
The Us ◽  
Chemical Kinetic Mechanism ◽  
Ignition And Combustion ◽  
Surrogate Fuel ◽  
Detailed Chemical

Significant progress towards development and validation of a detailed chemical kinetic mechanism for the US Air Force JP-8 fuel is presented in this article. Three detailed chemical kinetic mechanisms for three JP-8 surrogate fuels, as given in Table I, were developed and reported in this study. The main objective is to investigate the performance of the developed three mechanisms for three different surrogate fuel blends and determine the suitability of each mechanism to chemically model the US Air Force petroleum-derived JP-fuel. The detailed JP-8 chemical kinetic reaction mechanism, we have been developing [1–3] for a 12-component surrogate fuel blend, has been used as a basis for the development of two additional detailed reaction mechanisms for the other two surrogate fuel mixtures. Submechanisms for the monosubstituted aromatics such as toluene, m-xylene, butylbenzene, and for the bicyclic aromatics such as 1-methylnaphthalene were all assembled and integrated with the detailed JP-8 reaction mechanism [1–3]. Pressure-dependent rate parameters up to 10 atmospheres for 41 reactions were also included. The three mechanisms were evaluated by predicting the ignition and combustion characteristics of a JP-8 fuel-air mixture in Plug Flow Reactor (PFR) and a Perfectly-Stirred Reactor (PSR) over a temperature range of 933–1020 K and pressure of 1 atm. The results indicated that overall the mechanism for the 6-component JP-8 surrogate 3 (Table I) can predict similar ignition-delay periods as those predicted by the 12-component JP-8 surrogate fuel 1 for atmospheric pressure condition. However, the PSR calculations pointed out to the existence of differences in lighter hydrocarbon species concentration profiles such as CH4, C2H4, C3H6, and C4H8 and important emission species such as CO and CO2 as predicted by the mechanisms that exhibited comparable ignition delay times. The study suggests that, for the conditions considered here, that the developed mechanisms still require further evaluation under various combustion environments, including transport phenomena, to determine the suitability of the chemical kinetic mechanism for either surrogate fuel 1 or 3 to chemically simulate the actual US Air Force JP-8 fuel.

A New Skeletal Chemical Kinetic Mechanism of Ethanol Combustion for HCCI Engine Simulation

2012 ◽  
Vol 614-615 ◽  
pp. 381-384
Author(s):  
Qian Dai ◽  
Hua Ye Guan
Keyword(s):  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Simplified Model ◽  
Detailed Chemical Kinetics ◽  
Detailed Model ◽  
Engine Simulation ◽  
Chemical Reaction Mechanism ◽  
Ethanol Combustion ◽  
Chemical Kinetic Mechanism ◽  
Detailed Chemical

According to the detailed chemical kinetic mechanism of ethanol proposed by the U．S．Lawrence Livermore Laboratory, this paper analyzes the main approach of ethanol oxidation. Based on the detailed chemical kinetics mechanism, a skeletal chemical reaction mechanism is presented by reaction path analysis．Thus a simplified model is constructed, which consists of 26 species and 26 reactions．And then the comparative studies were given between the simplified model and the detailed model．The simulation results show that simplified model and detailed model have good consistency.

scholarly journals Numerical Evaluation of Pollutants Emissions in a Homogeneous Methane/Air Micro Flame

2018 ◽  
Vol 8 (2) ◽  
Author(s):  
O. T. Sosso Mayi ◽  
F. Lontsi ◽  
M. B. Obounou Akong ◽  
J. Tonyi Agbébavi
Keyword(s):  
Plug Flow ◽  
Chemical Species ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Stable Flame ◽  
Chemical Kinetic Mechanism ◽  
Major Chemical ◽  
Carbon Dioxide Co2 ◽  
Literature Production ◽  
Detailed Chemical

Exhausting pollutant gas in a plug flow micro reactor are identified, described and predicted in this paper. For this, a premixed methane/air micro flame was simulated by a simplified chemical kinetics mechanism with four equations of Jones and Lindstedt. In addition to the Jones and Lindstedt model, one chemical kinetic mechanism with three equations describing the formation of thermal NO was integrated in Comsol 4.2a code, all that equations describing the production process and disappearance of the major chemical species. Simulations in stoichiometric and lean conditions with equivalent ratio ф equal to 0.9 and 0.7 show that the simulations with Jones and Lindstedt model provide a stable flame with the temperatures of the same order as that obtained with a detailed chemical kinetic mechanism as reported in the literature. Production of carbon dioxide (CO2) varies with the richness of the mixture. It is high with ф = 1 and in the order of 250 ppm, this value remains smaller than the required threshold for breathable air. Carbon monoxide (CO) is not found in the products of combustion due to the high temperatures at the outlet of the microreactor in the three cases

scholarly journals The development of a detailed chemical kinetic mechanism for diisobutylene and comparison to shock tube ignition times

2007 ◽  
Vol 31 (1) ◽  
pp. 377-384 ◽  
Author(s):  
Wayne K. Metcalfe ◽  
William J. Pitz ◽  
Henry J. Curran ◽  
John M. Simmie ◽  
Charles K. Westbrook
Keyword(s):  
Shock Tube ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Chemical Kinetic Mechanism ◽  
Detailed Chemical ◽  
Ignition Times
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