A path flux analysis method for the reduction of detailed chemical kinetic mechanisms

2010 ◽  
Vol 157 (7) ◽  
pp. 1298-1307 ◽  
Author(s):  
Wenting Sun ◽  
Zheng Chen ◽  
Xiaolong Gou ◽  
Yiguang Ju
2018 ◽  
Vol 140 (9) ◽  
Author(s):  
K. R. V. Manikantachari ◽  
Ladislav Vesely ◽  
Scott Martin ◽  
Jose O. Bobren-Diaz ◽  
Subith Vasu

Reduced mechanisms are needed for use with computational fluid dynamic codes (CFD) utilized in the design of combustors. Typically, reduced mechanisms are created from a detailed mechanism, which contain numerous species and reactions that are computationally difficult to handle using most CFD codes. Recently, it has been shown that the detailed aramco 2.0 mechanism well predicted the available experimental data at high pressures and in highly CO2 diluted methane mixtures. Here, a 23-species gas-phase mechanism is derived from the detailed aramco 2.0 mechanism by path-flux-analysis method (PFA) by using CHEM-RC. It is identified that the reaction CH4 + HO2 ⇔ CH3 + H2O2 is very crucial in predicting the ignition delay times (IDTs) under current conditions. Further, it is inferred that species C2H3 and CH3OH are very important in predicting IDTs of lean sCO2 methane mixtures. Also, the 23-species mechanism presented in this work is able to perform on par with the detailed aramco 2.0 mechanism in terms of simulating IDTs, perfectly stirred-reactor (PSR) estimates under various CO2 dilutions and equivalence ratios, and prediction of turbulence chemistry interactions. It is observed that the choice of equation of state has no significant impact on the IDTs of supercritical CH4/O2/CO2 mixtures but it influences supercritical H2/O2/CO2 mixtures considered in this work.


2004 ◽  
Vol 28 (11) ◽  
pp. 2351-2361 ◽  
Author(s):  
M.S. Skjøth-Rasmussen ◽  
O. Holm-Christensen ◽  
M. Østberg ◽  
T.S. Christensen ◽  
T. Johannessen ◽  
...  

Author(s):  
M. A. Mawid ◽  
T. W. Park ◽  
B. Sekar ◽  
C. A. Arana

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.


Sign in / Sign up

Export Citation Format

Share Document