Reaction Mechanism Reduction for Ozone-Enhanced CH4/Air Combustion by a Combination of Directed Relation Graph with Error Propagation, Sensitivity Analysis and Quasi-Steady State Assumption

In this study, an 18-steps, 22-species reduced global mechanism for ozone-enhanced CH4/air combustion processes was derived by coupling GRI-Mech 3.0 and a sub-mechanism for ozone decomposition. Three methods, namely, direct relation graphics with error propagation, (DRGRP), sensitivity analysis (SA), and quasi-steady-state assumption (QSSA), were used to downsize the detailed mechanism to the global mechanism. The verification of the accuracy of the skeletal mechanism in predicting the laminar flame speeds and distribution of the critical components showed that that the major species and the laminar flame speeds are well predicted by the skeletal mechanism. However, the pollutant NO was predicated inaccurately due to the precursors for generating NO were removed as redundant components. The laminar flame speeds calculated by the global mechanism fit the experimental data well. The comparisons of simulated results between the detailed mechanism and global mechanism were investigated and showed that the global mechanism could accurately predict the major and intermediate species and significantly reduced the time cost by 72%.

[1]  Tianfeng Lu,et al.  Complex CSP for Chemistry Reduction and Analysis , 2001 .

[2]  C. Sung,et al.  Augmented reduced mechanisms for NO emission in methane oxidation , 2001 .

[3]  Zhihua Wang,et al.  Investigation of combustion enhancement by ozone additive in CH(4)/air flames using direct laminar burning velocity measurements and kinetic simulations , 2012 .

[4]  Tao Liu,et al.  Large Eddy Simulation Analysis on Confined Swirling Flows in a Gas Turbine Swirl Burner , 2017 .

[5]  N. Peters,et al.  Reduced Kinetic Mechanisms for Applications in Combustion Systems , 1993 .

[6]  A. Konnov.  Modeling Ozone Decomposition Flames , 2013 .

[7]  Mingfa Yao,et al.  Progress and recent trends in homogeneous charge compression ignition (HCCI) engines , 2009 .

[8]  John E. Dec,et al.  Advanced compression-ignition engines—understanding the in-cylinder processes , 2009 .

[9]  Skip Williams,et al.  Flame propagation enhancement by plasma excitation of oxygen. Part I: Effects of O3 , 2010 .

[10]  Tianfeng Lu,et al.  On the applicability of directed relation graphs to the reduction of reaction mechanisms , 2006 .

[11]  H. Curran,et al.  Reduction of a detailed kinetic model for the ignition of methane/propane mixtures at gas turbine conditions using simulation error minimization methods , 2011 .

[12]  Skip Williams,et al.  Flame propagation enhancement by plasma excitation of oxygen. Part II: Effects of O2(aDg) , 2010 .

[13]  Francesco Contino,et al.  Simulations of Advanced Combustion Modes Using Detailed Chemistry Combined with Tabulation and Mechanism Reduction Techniques , 2012 .

[14]  Xiaolong Gou,et al.  A path flux analysis method for the reduction of detailed chemical kinetic mechanisms , 2010 .

[15]  Holger Niemann,et al.  Reaction mechanism reduction for higher hydrocarbons by the ILDM method , 2000 .

[16]  P. Dagaut,et al.  Homogeneous Charge Compression Ignition Combustion of Primary Reference Fuels Influenced by Ozone Addition , 2013 .

[17]  M. Alzueta,et al.  An augmented reduced mechanism for the reburning process , 2002 .

[18]  Zhihua Wang,et al.  Study of ozone-enhanced combustion in H2/CO/N2/air premixed flames by laminar burning velocity measurements and kinetic modeling , 2013 .

[19]  T. Turányi.  Sensitivity analysis of complex kinetic systems. Tools and applications , 1990 .

[20]  Zhihua Wang,et al.  Investigation of formaldehyde enhancement by ozone addition in CH4/air premixed flames , 2015 .

[21]  Zhihua Wang,et al.  Reduced Mechanism for Hybrid NOx Control Process , 2009 .

[22]  S. Starikovskaia,et al.  Plasma assisted ignition and combustion , 2006 .

[23]  P. Dagaut,et al.  Experimental and Detailed Kinetic Modeling Study of the Effect of Ozone on the Combustion of Methane , 2011 .

[24]  Peter Frank,et al.  Reduced Reaction Mechanisms for Methane and Syngas Combustion in Gas Turbines , 2008 .

[25]  H. Pitsch,et al.  An efficient error-propagation-based reduction method for large chemical kinetic mechanisms , 2008 .

[26]  P. James McLellan,et al.  A functional-PCA approach for analyzing and reducing complex chemical mechanisms , 2006, Comput. Chem. Eng..

[27]  Long Liang,et al.  A dynamic adaptive chemistry scheme for reactive flow computations , 2009 .

[28]  T. Tachibana,et al.  Effect of ozone on combustion of compression ignition engines , 1991 .

[29]  Jiuzhong Yang,et al.  Experimental and modeling investigation on premixed ethylbenzene flames at low pressure , 2011 .

[30]  Enrico Sciubba,et al.  LES of a Meso Combustion Chamber with a Detailed Chemistry Model: Comparison between the Flamelet and EDC Models , 2010 .

[31]  Jun Li,et al.  Combustion and Heat Release Characteristics of Biogas under Hydrogen- and Oxygen-Enriched Condition , 2017 .

[32]  G. Janiga,et al.  Impact of Turbulence Intensity and Equivalence Ratio on the Burning Rate of Premixed Methane–Air Flames , 2011 .

[33]  C. Law,et al.  A directed relation graph method for mechanism reduction , 2005 .