Theoretical Chemical Kinetic Study of the H-Atom Abstraction Reactions from Aldehydes and Acids by Ḣ Atoms and ȮH, HȮ2, and ĊH3Radicals

2014 ◽  
Vol 118 (51) ◽  
pp. 12089-12104 ◽  
Author(s):  
Jorge Mendes ◽  
Chong-Wen Zhou ◽  
Henry J. Curran
Keyword(s):  
Kinetic Study ◽  
Chemical Kinetic

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
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