Abstract
Reduction of the detail chemical kinetic mechanism is important in solving complex combustion simulation. In this work, a model reduction scheme rate-controlled constrained-equilibrium (RCCE) is considered in predicting the oxidation of ethanol. A detail kinetic mechanism by Merinov from Lawrence Livermore National Laboratory (LLNL) is used in modeling this reduction technique. The RCCE method considers constrained equilibrium states which subjected to a lower number of constraints compared to the number of species. It then has to solve a smaller number of differential equations compared to the number of equations required in solving the detailed kinetic model (DKM). The accuracy of this solution depends on the selection of the constraint. A systematic procedure which will help in identifying the constraint at an optimal level of accuracy is an essential for RCCE modeling. A fully automated Approximate Singular Value Decomposition of the Actual Degrees of Disequilibrium (ASVDADD) method is used in this study to derive the constraint for RCCE simulation. ASVDADD uses an algorithm which follows the simple algebraic analysis on results of underlying DKM to find the degree of disequilibrium (DoD) of the individual chemical reactions. The number of constraints which will be used in RCCE simulation can be selected to reduce the number of equations required to solve. In the current work, this ASVDADD method is applied on ethanol oxidation to select the constraint for RCCE simulation. Both DKM and RCCE calculations on ethanol fuel are demonstrated to compare the result of temperature distribution and an ignition delay time for validating the method.
References
1.
Yu
, G.
, Askari
, O.
, and Metghalchi
, H.
, 2017
, “Theoretical Prediction of the Effect of Blending JP-8 With Syngas on the Ignition Delay Time and Laminar Burning Speed
,” ASME J. Energy Resour. Technol.
, 140
(1
), p. 012204
. 10.1115/1.40373762.
Yu
, G.
, Askari
, O.
, Hadi
, F.
, Wang
, Z.
, Metghalchi
, H.
, Kannaiyan
, K.
, and Sadr
, R.
, 2016
, “Theoretical Prediction of Laminar Burning Speed and Ignition Delay Time of Gas-to-Liquid Fuel
,” ASME J. Energy Resour. Technol.
, 139
(2
), p. 022202
. 10.1115/1.40339843.
Roy
, S.
, Zare
, S.
, and Askari
, O.
, 2018
, “Understanding the Effect of Oxygenated Additives on Combustion Characteristics of Gasoline
,” ASME J. Energy Resour. Technol.
, 141
(2
), p. 022205
. 10.1115/1.40413164.
Zare
, S.
, Roy
, S.
, El Maadi
, A.
, and Askari
, O.
, 2019
, “An Investigation on Laminar Burning Speed and Flame Structure of Anisole-Air Mixture
,” Fuel
, 244
(Feb. 2019
), pp. 120
–131
. 10.1016/j.fuel.2019.01.1495.
Keck
, J. C.
, and Gillespie
, D.
, 1971
, “Rate-Controlled Partial-Equilibrium Method for Treating Reacting Gas Mixtures
,” Combust. Flame
, 17
(2
), pp. 237
–241
. 10.1016/S0010-2180(71)80166-96.
Beretta
, G. P.
, and Keck
, J. C.
, 1986
, “The Constrained Equilibrium Approach to Nonequilibrium Dynamics
,” Proceedings of the 1986 Winter Annual Meeting of the ASME
, Anaheim, CA
, Dec. 7–12, 1986
, Publ. Comput. Eng. Energy Syst. Second Law Anal. Model. Ed. by R.A. Gaggioli, ASME B. H0341C-AES, 3
, pp. 135
–139
.7.
Law
, R.
, Metghalchi
, H.
, and Keck
, J. C.
, 1988
, “Rate-Controlled Constrained Equilibrium Calculations of Ignition Delay Times in Hydrogen-Oxygen Mixtures
,” Proc. Combust. Inst.
, 22
(1
), pp. 1705
–1713
. 10.1016/S0082-0784(89)80183-38.
Keck
, J. C.
, 1990
, “Rate-Controlled Constrained-Equilibrium Theory of Chemical Reactions in Complex Systems
,” Prog. Energy Combust. Sci
, 16
(2
), pp. 125
–154
. 10.1016/0360-1285(90)90046-69.
Tang
, Q.
, and Pope
, S. B.
, 2004
, “A More Accurate Projection in the Rate-Controlled Constrained-Equilibrium Method for Dimension Reduction of Combustion Chemistry
,” Combust. Theory Model.
, 8
(2
), pp. 255
–279
. 10.1088/1364-7830/8/2/00410.
Singh
, S.
, Powers
, J. M.
, and Paolucci
, S.
, 2002
, “On Slow Manifolds of Chemically Reactive Systems
,” J. Chem. Phys.
, 117
(4
), pp. 1482
–1496
. 10.1063/1.148595911.
Gorban
, A. N.
, Karlin
, I. V.
, Ilg
, P.
, and Öttinger
, H. C.
, 2001
, “Corrections and Enhancements of Quasi-Equilibrium States
,” J. Non-Newton. Fluid Mech.
, 96
(1–2
), pp. 203
–219
. 10.1016/S0377-0257(00)00135-X12.
Roussel
, M. R.
, and Fraser
, S. J.
, 1991
, “On the Geometry of Transient Relaxation
,” J. Chem. Phys.
, 94
(11
), pp. 7106
–7113
. 10.1063/1.46019413.
Hadi
, F.
, Yu
, G.
, and Metghalchi
, H.
, 2018
, “Fundamentals of Rate-Controlled Constrained-Equilibrium Method,” Energy Propulsion. Green Energy Technology
, A
Runchal
, A
Gupta
, A
Kushari
, and A
Aggarwal S
, eds., Springer
, Singapore
.14.
Hadi
, F.
, Yousefian
, V.
, Sheikhi
, M. R.
, and Metghalchi
, H.
, 2017
, “Time Scale Analysis for Rate-Controlled Constrained-Equilibrium Constraint Selection
,” Proceedings of the 10th National Combustion Meeting Combustion Institute
, College Park. MD
, Apr. 23–26
.15.
Hadi
, F.
, Janbozorgi
, M. H.
, Sheikhi
, M. R.
, and Metghalchi
, H.
, 2016
, “A Study of Interactions Between Mixing and Chemical Reaction Using the Rate-Controlled Constrained-Equilibrium Method
,” J. Non-Equilibrium Thermodyn.
, 41
(4
), pp. 257
–278
. 10.1515/jnet-2015-005216.
Hadi
, F.
, Yousefian
, V.
, Sheikhi
, M. R.
, and Metghalchi
, H.
, 2016
, “A Study of the RCCE Constraint Potential Formulation Incorporating a Constraint Selection Algorithm
,” Proceedings of the 2016 ESSCI Spring Meeting Combustion Institute
, Princeton, NJ
, Mar. 13–16
.17.
Nicolas
, G.
, and Metghalchi
, H.
, 2016
, “Development of the Rate-Controlled Constrained-Equilibrium Method for Modeling of Ethanol Combustion
,” ASME J. Energy Resour. Technol.
, 138
(2
), p. 022205
. 10.1115/1.403151118.
Janbozorgi
, M.
, 2012
, “Rate-Controlled Constrained-Equilibrium (RCCE) Modelling of C1-Hydrocarbon Fuels
,” thesis
, Department of Mechanical and Industrial Engineering, Northeastern University
.19.
Janbozorgi
, M.
, Goldthwaite
, D.
, Metghalchi
, H.
, and Keck
, J. C.
, 2007
, “Rate-Controlled Constrained-Equilibrium Calculations of the Combustion Products in the Expansion Stroke of an Internal Combustion Engine
,” Fall Tech. Meet. East. States Sect. Combust. Inst. 2007 Chemical Phys. Process. Combust.
, 12
(1
), pp. 48
–56
.20.
Yousefian
, V.
, 1998
, “A Rate-Controlled Constrained-Equilibrium Thermochemistry Algorithm for Complex Reacting Systems
,” Combust. Flame
, 115
(1–2
), pp. 66
–80
. 10.1016/S0010-2180(97)00334-921.
Yu
, G.
, Hadi
, F.
, Wang
, Z.
, and Metghalchi
, H.
, 2020
, “Review of Applications of Rate-Controlled Constrained-Equilibrium in Combustion Modeling
,” J. Non-Equilibrium Thermodyn.
, 45
(1
), p. 59
–79
. 10.1515/jnet-2019-006022.
Yu
, G.
, Metghalchi
, H.
, Askari
, O.
, and Wang
, Z.
, 2019
, “Combustion Simulation of Propane/Oxygen (With Nitrogen/Argon) Mixtures Using Rate-Controlled Constrained-Equilibrium
,” ASME J. Energy Resour. Technol. Trans.
, 141
(2
), p. 022204
. 10.1115/1.404128923.
Du
, L.
, Yu
, G.
, Wang
, Z.
, and Metghalchi
, H.
, 2019
, “The Rate-Controlled Constrained-Equilibrium Combustion Modeling of n-Pentane/Oxygen/Diluent Mixtures
,” ASME J. Energy Resour. Technol. Trans.
, 141
(8
), p. 082206
. 10.1115/1.404253224.
Yu
, G.
, Hadi
, F.
, and Metghalchi
, H.
, 2019
, “Rate-Controlled Constrained-Equilibrium Application in Shock Tube Ignition Delay Time Simulation
,” ASME J. Energy Resour. Technol. Trans.
, 141
(2
), pp. 1
–5
. 10.1115/1.404128825.
Yu
, G.
, Zhang
, Y.
, Wang
, Z.
, Bai
, Z.
, and Metghalchi
, H.
, 2019
, “The Rate-Controlled Constrained-Equilibrium Combustion Modeling of n-Butane/Oxygen/Diluent Mixtures
,” Fuel
, 239
, pp. 786
–793
. 10.1016/j.fuel.2018.11.08026.
Janbozorgi
, M.
, and Wang
, H.
, 2018
, “Bottom-Up Modeling Using the Rate-Controlled Constrained-Equilibrium Theory: The n-Butane Combustion Chemistry
,” Combust. Flame
, 194
, pp. 223
–232
. 10.1016/j.combustflame.2018.04.02627.
Taylor
, P.
, Bishnu
, P. S.
, Hamiroune
, D.
, Metghalchi
, M.
, and Keck
, J. C.
, 1997
, “Constrained-Equilibrium Calculations for Chemical Systems Subject to Generalized Linear Constraints Using the NASA and STANJAN Equilibrium Programs
,” Combust. Theory Model.
, 1
(3
), pp. 295
–312
.28.
Hadi
, F.
, and H. Sheikhi
, M. Reza
, 2016
, “A Comparison of Constraint and Constraint Potential Forms of the Rate-Controlled Constraint-Equilibrium Method
,” ASME J. Energy Resour. Technol.
, 138
(2
), p. 022202
. 10.1115/1.403161429.
Bishnu
, P.
, Hamiroune
, D.
, Metghalchi
, M.
, and Keck
, J. C.
, 1997
, “Constrained-Equilibrium Calculations for Chemical Systems Subject to Generalized Linear Constraints Using the NASA and STANJAN Equilibrium Programs
,” Combust. Theory Model.
, 1
(3
), pp. 295
–312
. 10.1080/71366532530.
Janbozorgi
, M.
, and Metghalchi
, H.
, 2012
, “Rate-Controlled Constrained-Equilibrium Modeling of H/O Reacting Nozzle Flow
,” J. Propuls. Power
, 28
(4
), pp. 677
–684
. 10.2514/1.B3454531.
Janbozorgi
, M.
, Ugarte
, S.
, Metghalchi
, H.
, and Keck
, J. C.
, 2009
, “Combustion Modeling of Mono-Carbon Fuels Using the Rate-Controlled Constrained-Equilibrium Method
,” Combust. Flame
, 156
(10
), pp. 1871
–1885
. 10.1016/j.combustflame.2009.05.01332.
Rigopoulos
, S.
, and Løvås
, T.
, 2009
, “A LOI-RCCE Methodology for Reducing Chemical Kinetics, With Application to Laminar Premixed Flames
,” Proc. Combust. Inst
, 32
(1
), pp. 569
–576
. 10.1016/j.proci.2008.06.03833.
Rena
, Z.
, Lu
, Z.
, Gao
, Y.
, Lu
, T.
, and Hou
, L.
, 2017
, “A Kinetics-Based Method for Constraint Selection in Rate-Controlled Constrained Equilibrium
,” J. Combust. Theory Model.
, 21
(2
), pp. 159
–182
. 10.1080/13647830.2016.120159634.
Hiremath
, V.
, Ren
, Z.
, and Pope
, S. B.
, 2010
, “A Greedy Algorithm for Species Selection in Dimension Reduction of Combustion
,” J. Combust. Theory Model.
, 14
(5
), pp. 619
–652
. 10.1080/13647830.2010.49996435.
Hiremath
, V.
, Ren
, Z.
, and Pope
, S. B.
, 2011
, “Combined Dimension Reduction and Tabulation Strategy Using ISAT-RCCE-GALI for the Efficient Implementation of Combustion Chemistry
,” Combust. Flame
, 158
(11
), pp. 2113
–2127
. 10.1016/j.combustflame.2011.04.01036.
Rivadossi
, L.
, and Beretta
, G. P.
, 2018
, “Validation of the ASVDADD Constraint Selection Algorithm for Effective RCCE Modeling of Natural Gas Ignition in Air
,” ASME J. Energy Resour. Technol.
, 140
(5
), p. 052201
. 10.1115/1.403837637.
Hadi
, F.
, Yousefian
, V.
, Sarfaraz
, E.
, and Beretta
, G. P.
, 2018
, “Extending Degree of Disequilibrium Analysis for Automtic Selection of Kinetic Constraints in the Rate-Controlled Constrained-Equilibrium Method
,” Proceedings of the ASME 2018 International Mechanical Engineering Congress and Exposition (IMECE2018)
, Pittsburgh, PA
, Nov. 9–15
, Energy, V06BT08A005, Paper No. IMECE2018-86509.38.
Beretta
, G. P.
, Janbozorgi
, M.
, and Metghalchi
, H.
, 2016
, “Degree of Disequilibrium Analysis for Automatic Selection of Kinetic Constraints in the Rate-Controlled Constrained-Equilibrium Method
,” Combust. Flame
, 168
, pp. 342
–364
. 10.1016/j.combustflame.2016.02.00539.
Beretta
, G. P.
, Rivadossi
, L.
, and Janbozorgi
, M.
, 2018
, “Systematic Constraint Selection Strategy for Rate-Controlled Constrained-Equilibrium Modeling of Complex Nonequilibrium Chemical Kinetics: An Automatable and Thermodynamically Consistent, Quasi-Equilibrium Model of Far Nonequilibrium States of Complex Reacting Systems Based on Probing the Fully Detailed Model and Taking a Truncated Singular Value Decomposition of the Resulting Evolution of the Degrees of Disequilibrium
,” J. Non-Equilibrium Thermodyn.
, 43
(2
), pp. 121
–130
. 10.1515/jnet-2017-005540.
Askari
, O.
, Moghaddas
, A.
, Alholm
, A.
, Vien
, K.
, Alhazmi
, B.
, and Metghalchi
, H.
, 2016
, “Laminar Burning Speed Measurement and Flame Instability Study of H2/CO/Air Mixtures at High Temperatures and Pressures Using a Novel Multi-Shell Model
,” Combust. Flame
, 168
, pp. 20
–31
. 10.1016/j.combustflame.2016.03.01841.
Askari
, O.
, Wang
, Z.
, Vien
, K.
, Sirio
, M.
, and Metghalchi
, H.
, 2017
, “On the Flame Stability and Laminar Burning Speeds of Syngas/O2/He Premixed Flame
,” Fuel
, 190
, pp. 90
–103
. 10.1016/j.fuel.2016.11.04242.
Movaghar
, A.
, Lawson
, R.
, and Egolfopoulos
, F. N.
, 2020
, “Confined Spherically Expanding Flame Method for Measuring Laminar Flame Speeds: Revisiting the Assumptions and Application to C1–C4 Hydrocarbon Flames
,” Combust. Flame
, 212
, pp. 79
–92
. 10.1016/j.combustflame.2019.10.02343.
Askari
, O.
, Vien
, K.
, Wang
, Z.
, Sirio
, M.
, and Metghalchi
, H.
, 2016
, “Exhaust Gas Recirculation Effects on Flame Structure and Laminar Burning Speeds of H2/CO/Air Flames at High Pressures and Temperatures
,” Appl. Energy
, 179
, pp. 451
–462
. 10.1016/j.apenergy.2016.06.11844.
Askari
, O.
, Elia
, M.
, Ferrari
, M.
, and Metghalchi
, H.
, 2017
, “Auto-Ignition Characteristics Study of Gas-to-Liquid Fuel at High Pressures and Low Temperatures
,” ASME J. Energy Resour. Technol.
, 139
(1
), p. 012204
. 10.1115/1.403398345.
Konnov
, A. A.
, 2009
, “Implementation of the NCN Pathway of Prompt-NO Formation in the Detailed Reaction Mechanism
,” Combust. Flame
, 156
(11
), pp. 2093
–2105
. 10.1016/j.combustflame.2009.03.01646.
Li
, J.
, Kazakov
, A.
, Chaos
, M.
, and Dryer
, F. L.
, 1999
, “Chemical Kinetics of Ethanol Oxidation
,” Int. J. Chem. Kinet.
, 31
(31
), pp. 183
–220
.47.
Dunphy
, M. P.
, Patterson
, P. M.
, and Simmie
, J. M.
, 1991
, “High Temperature Oxidation of Ethanol: Part 2—Kinetic Modeling
,” J Chem. Soc. Faraday Trans.
, 87
(16
), pp. 2549
–2559
. 10.1039/FT991870254948.
Smith
, G. P.
, Tao
, Y.
, and Wang
, H.
, 2016
, “Foundational Fuel Chemistry Model Version 1.0 (FFCM-1)
,” https://web.stanford.edu/group/haiwanglab/FFCM1/pages/FFCM1.49.
Dunphy
, M. P.
, and Simmie
, J. M.
, 1991
, “High Temperature Oxidation of Ethanol: Part 1—Ignition in Shock Waves
,” J Chem. Soc. Faraday Trans.
, 87
(11
), pp. 1691
–1696
. 10.1039/FT991870169150.
Jasper
, A. W.
, Klippenstein
, S. J.
, Harding
, L. B.
, and Ruscic
, B.
, 2007
, “Kinetics of the Reaction of Methyl Radical With Hydroxyl Radical and Methanol Decomposition
,” J. Phys. Chem. A
, 111
(19
), pp. 3932
–3950
. 10.1021/jp067585p51.
Cancino
, L. R.
, Fikri
, M.
, Oliveira
, A. A. M.
, and Schulz
, C.
, 2011
, “Ignition Delay Times of Ethanol-Containing Multi-Component Gasoline Surrogates: Shock-Tube Experiments and Detailed Modeling
,” Fuel
, 90
(3
), pp. 1238
–1244
. 10.1016/j.fuel.2010.11.00352.
Liao
, S. Y.
, Jiang
, D. M.
, Huang
, Z. H.
, Zeng
, K.
, and Cheng
, Q.
, 2007
, “Determination of the Laminar Burning Velocities for Mixtures of Ethanol and Air at Elevated Temperatures
,” Appl. Therm. Eng.
, 27
(2–3
), pp. 374
–380
. 10.1016/j.applthermaleng.2006.07.02653.
Mittal
, G.
, Burke
, S. M.
, Davies
, V. A.
, Parajuli
, B.
, Metcalfe
, W. K.
, and Curran
, H. J.
, 2014
, “Autoignition of Ethanol in a Rapid Compression Machine
,” Combust. Flame
, 161
(5
), pp. 1164
–1171
. 10.1016/j.combustflame.2013.11.00554.
Marinov
, N. M.
, 1999
, “A Detailed Chemical Kinetic Model for High Temperature Ethanol Oxidation
,” J. Chem. Kinet.
, 31
(3
), pp. 183
–220
. 10.1002/(SICI)1097-4601(1999)31:3<183::AID-KIN3>3.0.CO;2-X55.
Hashemi
, H.
, Christensen
, J. M.
, and Glarborg
, P.
, 2018
, “High-Pressure Pyrolysis and Oxidation of Ethanol
,” Fuel
, 218
(Dec. 2017
), pp. 247
–257
. 10.1016/j.fuel.2017.12.08556.
Burke
, M. P.
, Chaos
, M.
, Ju
, Y.
, Dryer
, F. L.
, and Klippenstein
, S. J.
, 2012
, “Comprehensive H2/O2 Kinetic Model for High-Pressure Combustion
,” Int. J. Chem. Kinet.
, 44
(7
), pp. 444
–474
. 10.1002/kin.2060357.
Saxena
, P.
, and Williams
, F. A.
, 2007
, “Numerical and Experimental Studies of Ethanol Flames
,” Proc. Combust. Inst.
, 31
(1
), pp. 1149
–1156
. 10.1016/j.proci.2006.08.09758.
Leplat
, N.
, Dagaut
, P.
, Togbé
, C.
, and Vandooren
, J.
, 2011
, “Numerical and Experimental Study of Ethanol Combustion and Oxidation in Laminar Premixed Flames and in Jet-Stirred Reactor
,” Combust. Flame
, 158
(4
), pp. 705
–725
. 10.1016/j.combustflame.2010.12.00859.
Natarajan
, K.
, and Bhaskaran
, K.
, 1981
, “An Experimental and Analytical Investigation of High Temperature Ignition of Ethanol
,” Thirteenth International Symposium on Shock Waves
, 13
, pp. 834
–842
.60.
Gulder
, O.
, 1984
, “A Burning Velocity of Ethanol-Isooctane Blends
,” Combust. Flame
, 56
(3
), pp. 261
–268
. 10.1016/0010-2180(84)90060-961.
Vagelopoulos
, C. M.
, Egolfopoulos
, F. N.
, and Law
, C. K.
, 1994
, “Further Considerations on the Determination of Laminar Flame Speeds With the Counterflow Twin-Flame Technique
,” Symp. Combust.
, 25
(1
), pp. 1341
–1347
. 10.1016/S0082-0784(06)80776-962.
Norton
, T. S.
, and Dryer
, F. L.
, 1992
, “An Experimental and Modeling Study of Ethanol Oxidation Kinetics in an Atmospheric Pressure Flow Reactor
,” Int. J. Chem. Kinet.
, 24
(4
), pp. 319
–344
. 10.1002/kin.55024040363.
Burke
, U.
, Metcalfe
, W. K.
, Burke
, S. M.
, Heufer
, K. A.
, Dagaut
, P.
, and Curran
, H. J.
, 2016
, “A Detailed Chemical Kinetic Modeling, Ignition Delay Time and Jet-Stirred Reactor Study of Methanol Oxidation
,” Combust. Flame
, 165
, pp. 125
–136
. 10.1016/j.combustflame.2015.11.00464.
Millán-Merino
, A.
, Fernández-Tarrazo
, E.
, Sánchez-Sanz
, M.
, and Williams
, F. A.
, 2018
, “A Multipurpose Reduced Mechanism for Ethanol Combustion
,” Combust. Flame
, 193
, pp. 112
–122
. 10.1016/j.combustflame.2018.03.00565.
Burke
, S. M.
, Metcalfe
, W.
, Herbinet
, O.
, Battin-Leclerc
, F.
, Haas
, F. M.
, Santner
, J.
, Dryer
, F. L.
, and Curran
, H. J.
, 2014
, “An Experimental and Modeling Study of Propene Oxidation. Part 1: Speciation Measurements in Jet-Stirred and Flow Reactors
,” Combust. Flame
, 161
(11
), pp. 2765
–2784
. 10.1016/j.combustflame.2014.05.01066.
Burke
, S. M.
, Burke
, U.
, Mc Donagh
, R.
, Mathieu
, O.
, Osorio
, I.
, Keesee
, C.
, Morones
, A.
, Petersen
, E. L.
, Wang
, W.
, DeVerter
, T. A.
, Oehlschlaeger
, M. A.
, Rhodes
, B.
, Hanson
, R. K.
, Davidson
, D. F.
, Weber
, B. W.
, Sung
, C. J.
, Santner
, J.
, Ju
, Y.
, Haas
, F. M.
, Dryer
, F. L.
, Volkov
, E. N.
, Nilsson
, E. J. K.
, Konnov
, A. A.
, Alrefae
, M.
, Khaled
, F.
, Farooq
, A.
, Dirrenberger
, P.
, Glaude
, P. A.
, Battin-Leclerc
, F.
, and Curran
, H. J.
, 2015
, “An Experimental and Modeling Study of Propene Oxidation. Part 2: Ignition Delay Time and Flame Speed Measurements
,” Combust. Flame
, 162
(2
), pp. 296
–314
. 10.1016/j.combustflame.2014.07.03267.
Zhou
, C.-W.
, Li
, Y.
, O’Connor
, E.
, Somers
, K. P.
, Thion
, S.
, Keesee
, C.
, Mathieu
, O.
, Petersen
, E. L.
, DeVerter
, T. A.
, Oehlschlaeger
, M. A.
, Kukkadapu
, G.
, Sung
, C.-J.
, Alrefae
, M.
, Khaled
, F.
, Farooq
, A.
, Dirrenberger
, P.
, Glaude
, P.-A.
, Battin-Leclerc
, F.
, Santner
, J.
, Ju
, Y.
, Held
, T.
, Haas
, F. M.
, Dryer
, F. L.
, and Curran
, H. J.
, 2016
, “A Comprehensive Experimental and Modeling Study of Isobutene Oxidation
,” Combust. Flame
, 167
, pp. 353
–379
. 10.1016/j.combustflame.2016.01.02168.
Li
, Y.
, Zhou
, C. W.
, Somers
, K. P.
, Zhang
, K.
, and Curran
, H. J.
, 2017
, “The Oxidation of 2-Butene: A High Pressure Ignition Delay, Kinetic Modeling Study and Reactivity Comparison With Isobutene and 1-Butene
,” Proc. Combust. Inst.
, 36
(1
), pp. 403
–411
. 10.1016/j.proci.2016.05.05269.
Ranzi
, E.
, Frassoldati
, A.
, Grana
, R.
, Cuoci
, A.
, Faravelli
, T.
, Kelley
, A. P.
, and Law
, C. K.
, 2012
, “Hierarchical and Comparative Kinetic Modeling of Laminar Flame Speeds of Hydrocarbon and Oxygenated Fuels
,” Prog. Energy Combust. Sci.
, 38
(4
), pp. 468
–501
. 10.1016/j.pecs.2012.03.00470.
Metcalfe
, W. K.
, Burke
, S. M.
, Ahmed
, S. S.
, and Curran
, H. J.
, 2013
, “A Hierarchical and Comparative Kinetic Modeling Study of C1–C2 Hydrocarbon and Oxygenated Fuels
,” Int. J. Chem. Kinet.
, 45
(10
), pp. 638
–675
. 10.1002/kin.2080271.
Rivadossi
, L.
, and Beretta
, G. P.
, 2016
, “Validation of the ASVDADD Constraint Selection Algorithm for Effective RCCE Modeling of Natural Gas Ignition in Air
,” IMECE 2016 International Mechanical Engineering Congress and Exposition
, Phoenix, AZ
, Nov. 11–17
.72.
Beretta
, G. P.
, Keck
, J. C.
, Janbozorgi
, M.
, and Metghalchi
, H.
, 2012
, “The Rate-Controlled Constrained-Equilibrium Approach to Far-From-Local-Equilibrium Thermodynamics
,” Entropy
, 14
(2
), pp. 92
–130
. 10.3390/e1402009273.
Hadi
, F.
, Janbozorgi
, M.
, Sheikhi
, R.
, and Metghalchi
, H.
, 2013
, “Assessment of Rate-Controlled Constrained-Equilibrium Method for Implementation of Detailed Kinetics in Turbulent Combustion Simulations
,” 8th US National Combustion Meeting, Western State Section
, University of Utah
, May 19–22
, pp. 1
–9
.74.
Lutz
, A. E.
, Kee
, R. J.
, and M
, J. A.
“SENKIN: A FORTRAN Program for Predicting Homogeneous Gas Phase Chemical Kinetics With Sensitivity Analysis, Sandia National Laboratories
,” 1988
Rep. No. SAND87-8248
.75.
Martin
, C. D.
, and Porter
, M. A.
, 2012
, “The Extraordinary SVD
,” Am. Math. Mon.
, 119
(10
), pp. 838
–851
. 10.4169/amer.math.monthly.119.10.838Copyright © 2020 by ASME
You do not currently have access to this content.
