A comparative study of the chemical kinetic characteristics of small methyl esters in diffusion flame extinction

2013 ◽  
Vol 34 (1) ◽  
pp. 821-829 ◽  
Author(s):  
Pascal Diévart ◽  
Sang Hee Won ◽  
Jing Gong ◽  
Stephen Dooley ◽  
Yiguang Ju
Author(s):  
Ruochen Liu ◽  
Enke An ◽  
Kun Wu

The chemical-kinetic characteristics of oxy-coal MILD combustion under different initial temperature and oxygen concentration were studied numerically. Aromatic benzene was considered representative for coal molecule. A unique reaction pathway under low oxygen concentration was obtained, the activation energy and reaction rate constant of involved elementary reactions were calculated through classic transition state theory (TST). The results show that low oxygen concentration and high temperature is advantageous for thickening flame front as well as slowing down flame propagation; as oxygen concentration and temperature increase, the global activation energy increases with greater slope; the decomposition of C5H5 dominates under high oxygen concentration, while the decomposition and oxidation of C5H5 become equally important as oxygen concentration decreases, leading to a new pathway that the complexity of overall chemical reactions develops; the radical CH2CHO is easily trigged under low oxygen concentration, its decomposition reaction dominates in the unique pathway C5H5→C5H4O→c-C4H5CH2CHO→CH3 due to larger activation energy, where more CO escapes. The simulation results have theoretical referencing value, laying foundations for the further practical work.


2005 ◽  
Author(s):  
Mohsen M. Abou-Ellail ◽  
Karam R. Beshay ◽  
David R. Halka

The present work is a numerical simulation of the, piloted, non-premixed, methane–air flame structure in a new mathematical imaging domain. This imaging space has the mixture fraction of diffusion flame Z1 and mixture fraction of pilot flame Z2 as independent coordinates to replace the usual physical space coordinates. The predications are based on the solution of two–dimensional set of transformed second order partial differential conservation equations describing the mass fractions of O2, CH4, CO2, CO, H2O, H2 and sensible enthalpy of the combustion products which are rigorously derived and solved numerically. A three–step chemical kinetic mechanism is adopted. This was deduced in a systematic way from a detailed chemical kinetic mechanism by Peters (1985). The rates for the three reaction steps are related to the rates of the elementary reactions of the full reaction mechanism. The interaction of the pilot flame with the non-premixed flame and the resulting modifications to the structure and chemical kinetics of the flame are studied numerically for different values of the scalar dissipation rate tensor. The dissipation rate tensor represents the flame stretching along Z1, the main mixture fraction, and in the perpendicular direction, along Z2, the pilot mixture fraction. The computed flame temperature contours are plotted in the Z1-Z2 plane for fixed values of the dissipation rate along Z1 and Z2.These temperature contours show that the flame will become unstable when the dissipate rates along Z1 and Z2 increase, simultaneously, to the limiting value for complete flame extinction of 45 s−1. However, the diffusion flame will extinguish for dissipate rates less than 20 1/s, if unpiloted. It is also noticed that the flame will remain stable if the dissipation rate along Z2 is increased to the limiting value, while the dissipation rate, along Z2, remains constant at a value less than 30 s−1.


1991 ◽  
Vol 86 (1-2) ◽  
pp. 171-178 ◽  
Author(s):  
Takashi Niioka ◽  
Susumu Hasegawa ◽  
Tatsuro Tsukamoto ◽  
Jun'ichi Sato

2005 ◽  
Vol 30 (1) ◽  
pp. 1111-1118 ◽  
Author(s):  
Pierre A. Glaude ◽  
William J. Pitz ◽  
Murray J. Thomson

2012 ◽  
Vol 159 (1) ◽  
pp. 221-229 ◽  
Author(s):  
Wenting Sun ◽  
Mruthunjaya Uddi ◽  
Sang Hee Won ◽  
Timothy Ombrello ◽  
Campbell Carter ◽  
...  

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