Chemical Kinetic Study of the Oxidation of a Biodiesel−Bioethanol Surrogate Fuel: Methyl Octanoate−Ethanol Mixtures†

2010 ◽  
Vol 114 (11) ◽  
pp. 3896-3908 ◽  
Author(s):  
C. Togbé ◽  
J.-B. May-Carle ◽  
G. Dayma ◽  
P. Dagaut
Keyword(s):  
Kinetic Study ◽  
Chemical Kinetic ◽  
Methyl Octanoate ◽  
Surrogate Fuel

Chemical Kinetic Study on Reaction Pathway of Anisole Oxidation at Various Operating Condition

2020 ◽  
Author(s):  
Shrabanti Roy ◽  
Omid Askari
Keyword(s):  
Kinetic Study ◽  
Equivalence Ratio ◽  
Initial Conditions ◽  
Reaction Pathway ◽  
Chemical Kinetic ◽  
Chemical Mechanism ◽  
Experimental Result ◽  
Alternative Source ◽  
Stirred Reactor ◽  
Constant Volume Combustion Chamber

Abstract Biofuels are considered as an alternative source of energy which can decrease the growing consumption of fossil fuel, hence decreasing pollution. Anisole (methoxybenzene) is a potential source of biofuel produced from cellulose base compounds. It is mostly available as a surrogate of phenolic rich compound. Because of the attractive properties of this fuel in combustion, it is important to do detail kinetic study on oxidation of anisole. In this study a detail chemical mechanism is developed to capture the chemical kinetics of anisole oxidation. The mechanism is developed using an automatic reaction mechanism generator (RMG). To generate the mechanism, RMG uses some known set of species and initial conditions such as temperature, pressure, and mole fractions. Proper thermodynamic and reaction library is used to capture the aromaticity of anisole. The generated mechanism has 340 species and 2532 reactions. Laminar burning speed (LBS) calculated through constant volume combustion chamber (CVCC) at temperature ranges from 460–550 K, pressure of 2–3 atm and equivalence ratio of 0.8–1.4 is used to validate the generated mechanism. Some deviation with experimental result is observed with the newly generated mechanism. Important reaction responsible for LBS calculation, is selected through sensitivity analysis. Rate coefficient of sensitive reactions are collected from literature to modify and improve the mechanism with experimental result. The generated mechanism is further validated with available ignition delay time (IDT) results ranging from 10–20 atm pressure, 0.5–1 equivalence ratio and 870–1600 K temperature. A good agreement of results is observed at different operating ranges. Oxidation of anisole at stoichiometric condition and atmospheric pressure in jet stirred reactor is also used to compare the species concentration of the mechanism. This newly generated mechanism is considered as a good addition for further study of anisole kinetics.

Ethanol Spray Combustion under a MILD Condition: A Chemical Kinetic Study

2019 ◽  
Vol 33 (11) ◽  
pp. 11861-11886
Author(s):  
Hamed Karimi Motaalegh Mahalegi ◽  
Amir Mardani
Keyword(s):  
Kinetic Study ◽  
Mild Condition ◽  
Chemical Kinetic ◽  
Spray Combustion

Development of Detailed Chemical Kinetic Mechanisms for Ignition/Oxidation of JP-8/Jet-A/JP-7 Fuels

2003 ◽  
Author(s):  
M. A. Mawid ◽  
T. W. Park ◽  
B. Sekar ◽  
C. A. Arana
Keyword(s):  
Chemical Kinetic ◽  
Current Status ◽  
Fuel Blend ◽  
Temperature Oxidation ◽  
Temperature Range ◽  
Delay Times ◽  
Kinetic Mechanisms ◽  
Surrogate Fuel ◽  
Autoignition Delay ◽  
Detailed Chemical

Progress on development and validation of detailed chemical kinetic mechanisms for the U.S. Air Force JP-8 and JP-7 fuels [1] is reported in this article. Two JP-8 surrogate fuel blends were considered. The first JP-8 surrogate blend contained 12 pure hydrocarbon components, which were 15% n-C10H22, 20% n-C12H26, 15% n-C14H30, 10% n-C16H34, 5% i-C8H18, 5% C7H14, 5% C8H16, 5% C8H10, 5% C10H14, 5% C9H12, 5% C10H12 and 5% C11H10 by weight. The second JP-8 surrogate blend contained 4 components, which were 45% n-C12H26, 20% n-C10H22, 25% C10H14, and 10% C7H14 by weight. A five-component surrogate blend for JP-7 was also considered. The JP-7 surrogate blend components were 30% n-C10H22, 30% n-C12H26, 30% C10H20, 5% i-C8H18, and 5% C7H8 by weight. The current status of the JP-8 and JP-7 mechanisms is that they consist of 221 species and 1483 reactions and 205 species and 1438 reactions respectively. Both JP-8 and JP-7 mechanisms were evaluated using a lean fuel-air mixture, over a temperature range of 900–1050 K and for atmospheric pressure conditions by predicting autoignition delay times and comparing them to the available experimental data for Jet-A fuel. The comparisons demonstrated the ability of the 12-component JP-8 surrogate fuel blend to predict the autoignition delay times over a wider range of temperatures than the 4-component JP-8 surrogate fuel blend. The 5-component JP-7 surrogate blend predicted autoignition delay times lower than those of JP-8 blends and Jet-A fuel. The JP-8 and JP-7 mechanisms predictions, however, showed less agreement with the measurements towards the lower end of the temperature range (i.e., less than 900 K). Therefore, low temperature oxidation reactions and the sensitivities of the autoignition delays to reaction rate constants are still needed.

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