The origin of CEMA and its relation to CSP

Goussis, Dimitris A.; Im, Hong G.; Najm, Habib N.; Paolucci, Samuel; Valorani, Mauro

doi:10.1016/j.combustflame.2021.01.020

The origin of CEMA and its relation to CSP

Journal Article · Mon Jan 25 23:00:00 EST 2021 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2021.01.020· OSTI ID:1769905

Goussis, Dimitris A. ^[1]; Im, Hong G. ^[2]; Najm, Habib N. ^[3]; Paolucci, Samuel ^[4]; Valorani, Mauro ^[5]

Khalifa Univ. of Science, Technology and Research, Abu Dhabi (United Arab Emirates)
King Abdullah Univ. of Science and Technology (KAUST), Thuwal (Saudi Arabia)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Univ. of Notre Dame, IN (United States)
Sapienza Univ., Rome (Italy)

Currently, there exist two methods for analysing an explosive mode introduced by chemical kinetics in a reacting process: the Computational Singular Perturbation (CSP) algorithm and the Chemical Explosive Mode Analysis (CEMA). CSP was introduced in 1989 and addressed both dissipative and explosive modes encountered in the multi-scale dynamics that characterize the process, while CEMA was introduced in 2009 and addressed only the explosive modes. It is shown that (i) the algorithmic tools incorporated in CEMA were developed previously on the basis of CSP and (ii) the examination of explosive modes has been the subject of CSP-based works, reported before the introduction of CEMA.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-CA), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1769905

Report Number(s):: SAND--2020-8040J; 687866

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Vol. 227; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (60)

Skeletal chemical kinetic mechanism generation for methanol combustion and systematic analysis on the ignition characteristics Liang, Jinhu; Jia, Wenlin; Sun, Yanjin Asia-Pacific Journal of Chemical Engineering, Vol. 15, Issue 3 https://doi.org/10.1002/apj.2434	journal	February 2020
The CSP method for simplifying kinetics Lam, S. H.; Goussis, D. A. International Journal of Chemical Kinetics, Vol. 26, Issue 4 https://doi.org/10.1002/kin.550260408	journal	April 1994
Explicit Time-Scale Splitting Algorithm for Stiff Problems: Auto-ignition of Gaseous Mixtures behind a Steady Shock Valorani, Mauro; Goussis, Dimitrios A. Journal of Computational Physics, Vol. 169, Issue 1 https://doi.org/10.1006/jcph.2001.6709	journal	May 2001
Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics Zagaris, A.; Kaper, H. G.; Kaper, T. J. Journal of Nonlinear Science, Vol. 14, Issue 1 https://doi.org/10.1007/s00332-003-0582-9	journal	January 2004
Enhancements of the G-Scheme Framework Valorani, Mauro; Ciottoli, Pietro Paolo; Malpica Galassi, Riccardo Flow, Turbulence and Combustion, Vol. 101, Issue 4 https://doi.org/10.1007/s10494-018-9942-2	journal	June 2018
The asymptotic structure of stoichiometric methaneair flames Peters, N.; Williams, F. A. Combustion and Flame, Vol. 68, Issue 2 https://doi.org/10.1016/0010-2180(87)90057-5	journal	May 1987
The computation of stretched laminar methane-air diffusion flames using a reduced four-step mechanism Peters, N.; Kee, R. J. Combustion and Flame, Vol. 68, Issue 1 https://doi.org/10.1016/0010-2180(87)90062-9	journal	April 1987
Global reaction schemes for hydrocarbon combustion Jones, W. P.; Lindstedt, R. P. Combustion and Flame, Vol. 73, Issue 3 https://doi.org/10.1016/0010-2180(88)90021-1	journal	September 1988
Asymptotic analysis of the high-temperature ignition of CO/H2/O2 mixtures Treviño, C.; Solorio, F. Combustion and Flame, Vol. 86, Issue 3 https://doi.org/10.1016/0010-2180(91)90108-N	journal	August 1991
Simplifying chemical kinetics: Intrinsic low-dimensional manifolds in composition space Maas, U.; Pope, S. B. Combustion and Flame, Vol. 88, Issue 3-4 https://doi.org/10.1016/0010-2180(92)90034-M	journal	March 1992
Lectures on applied mathematics in combustion Williams, F. A. Physica D: Nonlinear Phenomena, Vol. 20, Issue 1 https://doi.org/10.1016/0167-2789(86)90094-1	journal	May 1986
The contribution of asymptotics to combustion Buckmaster, J. Physica D: Nonlinear Phenomena, Vol. 20, Issue 1 https://doi.org/10.1016/0167-2789(86)90098-9	journal	May 1986
CSP analysis of a transient flame-vortex interaction Valorani, Mauro; Najm, Habib N.; Goussis, Dimitris A. Combustion and Flame, Vol. 134, Issue 1-2 https://doi.org/10.1016/S0010-2180(03)00067-1	journal	July 2003
Ignition of counterflowing methane versus heated air under reduced and elevated pressures Fotache, C. Combustion and Flame, Vol. 108, Issue 4 https://doi.org/10.1016/S0010-2180(97)81404-6	journal	March 1997
An algorithm for the construction of global reduced mechanisms with CSP data Massias, A.; Diamantis, D.; Mastorakos, E. Combustion and Flame, Vol. 117, Issue 4 https://doi.org/10.1016/S0010-2180(98)00132-1	journal	June 1999
Implementation of simplified chemical kinetics based on intrinsic low-dimensional manifolds Maas, U.; Pope, S. B. Symposium (International) on Combustion, Vol. 24, Issue 1 https://doi.org/10.1016/S0082-0784(06)80017-2	journal	January 1992
A study of homogeneous methanol oxidation kinetics using CSP Goussis, D. A.; Lam, S. H. Symposium (International) on Combustion, Vol. 24, Issue 1 https://doi.org/10.1016/S0082-0784(06)80018-4	journal	January 1992
Understanding complex chemical kinetics with computational singular perturbation Lam, S. H.; Goussis, D. A. Symposium (International) on Combustion, Vol. 22, Issue 1 https://doi.org/10.1016/S0082-0784(89)80102-X	journal	January 1989
Asymptotic analysis of two reduction methods for systems of chemical reactions Kaper, Hans G.; Kaper, Tasso J. Physica D: Nonlinear Phenomena, Vol. 165, Issue 1-2 https://doi.org/10.1016/S0167-2789(02)00386-X	journal	May 2002
An automatic procedure for the simplification of chemical kinetic mechanisms based on CSP Valorani, M.; Creta, F.; Goussis, D. Combustion and Flame, Vol. 146, Issue 1-2 https://doi.org/10.1016/j.combustflame.2006.03.011	journal	July 2006
Flame propagation and counterflow nonpremixed ignition of mixtures of methane and ethylene Liu, W.; Kelley, A. P.; Law, C. K. Combustion and Flame, Vol. 157, Issue 5 https://doi.org/10.1016/j.combustflame.2009.11.002	journal	May 2010
Structure of n-heptane/air triple flames in partially-premixed mixing layers Prager, J.; Najm, H. N.; Valorani, M. Combustion and Flame, Vol. 158, Issue 11 https://doi.org/10.1016/j.combustflame.2011.03.017	journal	November 2011
Computational diagnostics for n-heptane flames with chemical explosive mode analysis Shan, Ruiqin; Yoo, Chun Sang; Chen, Jacqueline H. Combustion and Flame, Vol. 159, Issue 10 https://doi.org/10.1016/j.combustflame.2012.05.012	journal	October 2012
Direct numerical simulations of the ignition of lean primary reference fuel/air mixtures with temperature inhomogeneities Luong, Minh Bau; Luo, Zhaoyu; Lu, Tianfeng Combustion and Flame, Vol. 160, Issue 10 https://doi.org/10.1016/j.combustflame.2013.04.012	journal	October 2013
A bifurcation analysis for limit flame phenomena of DME/air in perfectly stirred reactors Shan, Ruiqin; Lu, Tianfeng Combustion and Flame, Vol. 161, Issue 7 https://doi.org/10.1016/j.combustflame.2013.12.025	journal	July 2014
Dynamical system analysis of ignition phenomena using the Tangential Stretching Rate concept Valorani, Mauro; Paolucci, Samuel; Martelli, Emanuele Combustion and Flame, Vol. 162, Issue 8 https://doi.org/10.1016/j.combustflame.2015.05.015	journal	August 2015
Autoignition dynamics of DME/air and EtOH/air homogeneous mixtures Tingas, Efstathios Al.; Kyritsis, Dimitrios C.; Goussis, Dimitris A. Combustion and Flame, Vol. 162, Issue 9 https://doi.org/10.1016/j.combustflame.2015.05.016	journal	September 2015
Chemical kinetic insights into the ignition dynamics of n-hexane Tingas, Efstathios-Al.; Wang, Zhandong; Mani Sarathy, S. Combustion and Flame, Vol. 188 https://doi.org/10.1016/j.combustflame.2017.09.024	journal	February 2018
Investigation of the turbulent flame structure and topology at different Karlovitz numbers using the tangential stretching rate index Manias, Dimitris M.; Tingas, Efstathios-Al.; Hernández Pérez, Francisco E. Combustion and Flame, Vol. 200 https://doi.org/10.1016/j.combustflame.2018.11.023	journal	February 2019
Topological and chemical characteristics of turbulent flames at MILD conditions Manias, Dimitris M.; Tingas, Efstathios-Al.; Minamoto, Yuki Combustion and Flame, Vol. 208 https://doi.org/10.1016/j.combustflame.2019.06.031	journal	October 2019
Structure of strongly turbulent premixed n-dodecane–air flames: Direct numerical simulations and chemical explosive mode analysis Xu, Chao; Poludnenko, Alexei Y.; Zhao, Xinyu Combustion and Flame, Vol. 209 https://doi.org/10.1016/j.combustflame.2019.07.027	journal	November 2019
Algorithmic determination of the mechanism through which H2O-dilution affects autoignition dynamics and NO formation in CH4/air mixtures Tingas, Efstathios Al.; Kyritsis, Dimitrios C.; Goussis, Dimitris A. Fuel, Vol. 183 https://doi.org/10.1016/j.fuel.2016.06.057	journal	November 2016
Dimethyl ether autoignition in a rapid compression machine: Experiments and chemical kinetic modeling Mittal, Gaurav; Chaos, Marcos; Sung, Chih-Jen Fuel Processing Technology, Vol. 89, Issue 12 https://doi.org/10.1016/j.fuproc.2008.05.021	journal	December 2008
An efficient iterative algorithm for the approximation of the fast and slow dynamics of stiff systems Goussis, Dimitris A.; Valorani, Mauro Journal of Computational Physics, Vol. 214, Issue 1 https://doi.org/10.1016/j.jcp.2005.09.019	journal	May 2006
The G-Scheme: A framework for multi-scale adaptive model reduction Valorani, M.; Paolucci, S. Journal of Computational Physics, Vol. 228, Issue 13 https://doi.org/10.1016/j.jcp.2009.03.011	journal	July 2009
Combustion theory and modeling Buckmaster, J.; Clavin, P.; Liñán, A. Proceedings of the Combustion Institute, Vol. 30, Issue 1 https://doi.org/10.1016/j.proci.2004.08.280	journal	January 2005
High temperature ignition and combustion enhancement by dimethyl ether addition to methane–air mixtures Chen, Zheng; Qin, Xiao; Ju, Yiguang Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.07.177	journal	January 2007
Petascale direct numerical simulation of turbulent combustion—fundamental insights towards predictive models Chen, Jacqueline H. Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.09.012	journal	January 2011
A computational study of supersonic combustion in strut injector and hypermixer flow fields Fureby, C.; Nordin-Bates, K.; Petterson, K. Proceedings of the Combustion Institute, Vol. 35, Issue 2 https://doi.org/10.1016/j.proci.2014.06.113	journal	January 2015
The reactions supporting or opposing the development of explosive modes: Auto-ignition of a homogeneous methane/air mixture Diamantis, Dimitris J.; Kyritsis, Dimitris C.; Goussis, Dimitris A. Proceedings of the Combustion Institute, Vol. 35, Issue 1 https://doi.org/10.1016/j.proci.2014.07.063	journal	January 2015
Laminar flame propagation and nonpremixed stagnation ignition of toluene and xylenes Han, Dong; Deng, Sili; Liang, Wenkai Proceedings of the Combustion Institute, Vol. 36, Issue 1 https://doi.org/10.1016/j.proci.2016.05.013	journal	January 2017
Tangential stretching rate (TSR) analysis of non premixed reactive flows Valorani, Mauro; Ciottoli, Pietro Paolo; Galassi, Riccardo Malpica Proceedings of the Combustion Institute, Vol. 36, Issue 1 https://doi.org/10.1016/j.proci.2016.09.008	journal	January 2017
Three-stage heat release in n-heptane auto-ignition Sarathy, S. Mani; Tingas, Efstathios-Al.; Nasir, Ehson F. Proceedings of the Combustion Institute, Vol. 37, Issue 1 https://doi.org/10.1016/j.proci.2018.07.075	journal	January 2019
Three-dimensional direct numerical simulation of a turbulent lifted hydrogen jet flame in heated coflow: a chemical explosive mode analysis Lu, T. F.; Yoo, C. S.; Chen, J. H. Journal of Fluid Mechanics, Vol. 652 https://doi.org/10.1017/S002211201000039X	journal	May 2010
Chemical Ignition Characteristics of Ethanol Blending with Primary Reference Fuels Singh, Eshan; Tingas, Efstathios-Al.; Goussis, Dimitris Energy & Fuels, Vol. 33, Issue 10 https://doi.org/10.1021/acs.energyfuels.9b01423	journal	September 2019
Computational Singular Perturbation Analysis of Two-Stage Ignition of Large Hydrocarbons ^† Kazakov, Andrei; Chaos, Marcos; Zhao, Zhenwei The Journal of Physical Chemistry A, Vol. 110, Issue 21 https://doi.org/10.1021/jp057224u	journal	June 2006
Geometry of the Computational Singular Perturbation Method Kaper, Hans G.; Kaper, Tasso J.; Zagaris, Antonios Mathematical Modelling of Natural Phenomena, Vol. 10, Issue 3 https://doi.org/10.1051/mmnp/201510303	journal	January 2015
H2/Air Autoignition Dynamics around the Third Explosion Limit Tingas, Efstathios-Al.; Kyritsis, Dimitrios C.; Goussis, Dimitris A. Journal of Energy Engineering, Vol. 145, Issue 1 https://doi.org/10.1061/(ASCE)EY.1943-7897.0000588	journal	February 2019
Using CSP to Understand Complex Chemical Kinetics Lam, S. H. Combustion Science and Technology, Vol. 89, Issue 5-6 https://doi.org/10.1080/00102209308924120	journal	March 1993
Analysis of methane–air edge flame structure Najm, Habib N.; Valorani, Mauro; Goussis, Dimitris A. Combustion Theory and Modelling, Vol. 14, Issue 2 https://doi.org/10.1080/13647830.2010.483021	journal	July 2010
Computational singular perturbation with non-parametric tabulation of slow manifolds for time integration of stiff chemical kinetics Debusschere, Bert J.; Marzouk, Youssef M.; Najm, Habib N. Combustion Theory and Modelling, Vol. 16, Issue 1 https://doi.org/10.1080/13647830.2011.596575	journal	February 2012
H ₂ /air autoignition: The nature and interaction of the developing explosive modes Diamantis, Dimitris J.; Mastorakos, Epaminondas; Goussis, Dimitris A. Combustion Theory and Modelling, Vol. 19, Issue 3 https://doi.org/10.1080/13647830.2015.1027273	journal	April 2015
Comparative investigation of homogeneous autoignition of DME/air and EtOH/air mixtures at low initial temperatures Tingas, Efstathios-Alexandros; Kyritsis, Dimitrios C.; Goussis, Dimitris A. Combustion Theory and Modelling, Vol. 21, Issue 1 https://doi.org/10.1080/13647830.2016.1238513	journal	October 2016
A CSP and tabulation-based adaptive chemistry model Lee, J. C.; Najm, H. N.; Lefantzi, S. Combustion Theory and Modelling, Vol. 11, Issue 1 https://doi.org/10.1080/13647830600763595	journal	February 2007
Fast and Slow Dynamics for the Computational Singular Perturbation Method Zagaris, Antonios; Kaper, Hans G.; Kaper, Tasso J. Multiscale Modeling & Simulation, Vol. 2, Issue 4 https://doi.org/10.1137/040603577	journal	January 2004
Model Reduction and Physical Understanding of Slowly Oscillating Processes: The Circadian Cycle Goussis, Dimitris A.; Najm, Habib N. Multiscale Modeling & Simulation, Vol. 5, Issue 4 https://doi.org/10.1137/060649768	journal	January 2006
Computational Singular Perturbation Method for Nonstandard Slow-Fast Systems Lizarraga, Ian; Wechselberger, Martin SIAM Journal on Applied Dynamical Systems, Vol. 19, Issue 2 https://doi.org/10.1137/19M1242677	journal	January 2020
Asymptotic Solution of Stiff PDEs with the CSP Method: The Reaction Diffusion Equation Hadjinicolaou, M.; Goussis, D. A. SIAM Journal on Scientific Computing, Vol. 20, Issue 3 https://doi.org/10.1137/S1064827596303995	journal	January 1998
Reactive and reactive-diffusive time scales in stiff reaction-diffusion systems Goussis, Dimitris A.; Valorani, Mauro; Creta, Francesco Progress in Computational Fluid Dynamics, An International Journal, Vol. 5, Issue 6 https://doi.org/10.1504/PCFD.2005.007064	journal	January 2005
NO Formation and Autoignition Dynamics during Combustion of H2O-Diluted NH3/H2O2 Mixtures with Air Khalil, Ahmed T.; Manias, Dimitris M.; Kyritsis, Dimitrios C. Energies, Vol. 14, Issue 1 https://doi.org/10.3390/en14010084	journal	December 2020

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