Multi-element Flux Analysis for the Incorporation of Detailed Kinetic Mechanisms in Reactive Simulations

2010 ◽  
Vol 24 (1) ◽  
pp. 309-317 ◽  
Author(s):  
Kaiyuan He ◽  
Ioannis P. Androulakis ◽  
Marianthi G. Ierapetritou
Keyword(s):  
Flux Analysis ◽  
Kinetic Mechanisms ◽  
Element Flux

On-the-fly reduction of kinetic mechanisms using element flux analysis

2010 ◽  
Vol 65 (3) ◽  
pp. 1173-1184 ◽  
Author(s):  
Kaiyuan He ◽  
Ioannis P. Androulakis ◽  
Marianthi G. Ierapetritou
Keyword(s):  
Flux Analysis ◽  
Kinetic Mechanisms ◽  
Element Flux

Incorporation of Detailed Chemical Mechanisms in Reactive Flow Simulations Using Element-Flux Analysis

2010 ◽  
Vol 49 (21) ◽  
pp. 10471-10478 ◽  
Author(s):  
Kaiyuan He ◽  
Ioannis P. Androulakis ◽  
Marianthi G. Ierapetritou
Keyword(s):  
Reactive Flow ◽  
Flux Analysis ◽  
Chemical Mechanisms ◽  
Flow Simulations ◽  
Element Flux ◽  
Detailed Chemical

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
Keyword(s):  
Chemical Kinetic ◽  
Flux Analysis ◽  
Analysis Method ◽  
Kinetic Mechanisms ◽  
Detailed Chemical

Reduced Chemical Kinetic Mechanisms for Oxy/Methane Supercritical CO2 Combustor Simulations

2018 ◽  
Vol 140 (9) ◽  
Author(s):  
K. R. V. Manikantachari ◽  
Ladislav Vesely ◽  
Scott Martin ◽  
Jose O. Bobren-Diaz ◽  
Subith Vasu
Keyword(s):  
Gas Phase ◽  
High Pressures ◽  
Fluid Dynamic ◽  
Chemical Kinetic ◽  
Flux Analysis ◽  
Analysis Method ◽  
Stirred Reactor ◽  
Ignition Delay Times ◽  
Delay Times ◽  
Kinetic Mechanisms

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.

Development of reduced and optimized reaction mechanisms based on genetic algorithms and element flux analysis

2012 ◽  
Vol 159 (1) ◽  
pp. 103-119 ◽  
Author(s):  
Federico Perini ◽  
Jessica L. Brakora ◽  
Rolf D. Reitz ◽  
Giuseppe Cantore
Keyword(s):  
Genetic Algorithms ◽  
Reaction Mechanisms ◽  
Flux Analysis ◽  
Element Flux

Theoretical Studies of Kinetic Mechanisms of Negative Ion Formation in Plasmas.

1983 ◽  
Author(s):  
H. Harvey Michels ◽  
Robert H. Hobbs
Keyword(s):  
Negative Ion ◽  
Theoretical Studies ◽  
Ion Formation ◽  
Kinetic Mechanisms

Theoretical Studies of Kinetic Mechanisms of Negative Ion Formation in Plasmas.

1984 ◽  
Author(s):  
H. H. Michels ◽  
R. H. Hobbs
Keyword(s):  
Negative Ion ◽  
Theoretical Studies ◽  
Ion Formation ◽  
Kinetic Mechanisms
Sign in / Sign up

Export Citation Format

Share Document