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research-article

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

[+] Author and Article Information
K.R.V. Manikantachari

Center for Advanced Turbomachinery and Energy Research, University of Central Florida, Orlando, FL, USA
raghuvmkc@knights.ucf.edu

Veselý Ladislav

Czech Technical University in Prague, Faculty of Mechanical Engineering, Department of Energy Engineering, Prague, Czech Republic, Center for Advanced Turbomachinery and Energy Research, University of Central Florida, Orlando, FL, USA
zlopaslik@gmail.com

Scott Martin

Eagle Flight Research Center, Embry-Riddle Aeronautical University, Daytona Beach, FL, USA
martis38@erau.edu

Jose Bobren-Diaz

Center for Advanced Turbomachinery and Energy Research, University of Central Florida, Orlando, FL, USA
jobobren@Knights.ucf.edu

Subith Vasu

Center for Advanced Turbomachinery and Energy Research, University of Central Florida, Orlando, FL, USA
subith@ucf.edu

1Corresponding author.

ASME doi:10.1115/1.4039746 History: Received March 11, 2018; Revised March 15, 2018

Abstract

Reduced mechanisms are needed for use with computational fluid dynamic codes (CFD) utilized in the design of combustors. Typically, the reduced mechanisms are created from the detailed mechanisms 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 high-CO2 diluted methane mixtures. Further, 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 under current conditions. Further, it is inferred that species C2H3 and CH3OH are very important in predicting the ignition delay time of lean sCO2 methane mixtures. Also, the 23-species mechanism presented in this work is performing on par with the detailed Aramco 2.0 mechanism in-terms of simulating ignition delay times, perfectly-stirred-reactor 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 ignition delay times of supercritical CH4/O2/CO2 mixtures considered in this work.

Copyright (c) 2018 by ASME
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