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Development of a Reduced Chemical Mechanism for Dimethyl Ether (DME) Using a Decoupling Methodology
Technical Paper
2017-01-2191
ISSN: 0148-7191, e-ISSN: 2688-3627
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English
Abstract
Dimethyl ether (DME) attracts increasing attentions in recent years, because it can reduce the carbon monoxide (CO), unburned hydrocarbon (HC), and soot emissions for engines as the transportation fuel or the fuel additive. In this paper, a reduced DME oxidation mechanism is developed using the decoupling methodology. The rate constants of the fuel-related reactions are optimized using the non-dominated sorting genetic algorithm II (NSGA-II) to reproduce the ignition delay times in shock tubes and major species concentrations in jet-stirred reactors (JSR) over low-to-high temperatures. In NSGA-II, the range of the rate constants was considered to ensure the reliability of the optimized mechanism. Moreover, an improved objective function was proposed to maintain the faithfulness of the optimized mechanism to the original reaction mechanism, and a new method was presented to determine the optimal solution from the Pareto front. The final reduced mechanism includes 42 species and 171 reactions. The comparisons between the measured and predicted results demonstrate that the present mechanism is capable of reproducing the ignition delay time in shock tubes and rapid compression machines, major species concentration in JSRs, flow reactors, and laminar premixed flames, as well as the laminar flame speed over the temperature range of 500-1500 K, the pressure range of 0.05-40 atm, and the equivalence ratio range of 0.25-2.0. Due to its compact size, the final mechanism is also coupled with the multi-dimensional computational fluid dynamic (CFD) to simulate the combustion and autoignition characteristics of DME in practical engines.
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Citation
Chang, Y., Jia, M., Zhang, Y., Li, Y. et al., "Development of a Reduced Chemical Mechanism for Dimethyl Ether (DME) Using a Decoupling Methodology," SAE Technical Paper 2017-01-2191, 2017, https://doi.org/10.4271/2017-01-2191.Data Sets - Support Documents
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References
- Kim , H.J. , Park , S.W. , Lee , C.S. Numerical and Experimental Study on the Combustion and Emission Characteristics of a Dimethyl Ether (DME) Fueled Compression Ignition Engine Oil Gas Sci. Technol.-Rev. IFP Energies Nouvelles 67 3 479 489 2012
- Arcoumanis , C. , Bae , C. , Crookes , R. , Kinoshita , E. The Potential of Di-Methyl Ether (DME) as an Alternative Fuel for Compression-Ignition Engines: A Review Fuel 87 7 1014 1030 2008
- Park , S.H. , Lee , C.S. Applicability of Dimethyl Ether (DME) in a Compression Ignition Engine as an Alternative Fuel Energy Convers. Manage. 86 848 863 2014
- Shahangian , S.N. , Keshavarz , M. , Javadirad , G. , Bagheri , N. , Jazayeri , S.A. A Theoretical Study on Performance and Combustion Characteristics of HCCI Engine Operation with Diesel Surrogate Fuels: N-Heptane, Dimethyl Ether ASME Internal Combustion Engine Division Sprint Technical Conference Chicageo 2008
- Lee , U. , Han , J. , Wang , M. , Ward , J. et al. Well-to-Wheels Emissions of Greenhouse Gases and Air Pollutants of Dimethyl Ether from Natural Gas and Renewable Feedstocks in Comparison with Petroleum Gasoline and Diesel in the United States and Europe SAE Int. J. Fuels Lubr. 9 3 546 557 2016 10.4271/2016-01-2209
- Khalife , E. , Tabatabaei , M. , Demirbas , A. , Aghbashlo , M. Impacts of Additives on Performance and Emission Characteristics of Diesel Engines During Steady State Operation Prog. Energy Combust. Sci. 59 32 78 2017
- Kitamura , T. , Ito , T. , Senda , J. , and Fujimoto , H. Detailed Chemical Kinetic Modeling of Diesel Spray Combustion with Oxygenated Fuels SAE Technical Paper 2001-01-1262 2001 10.4271/2001-01-1262
- Goto , S. , Oguma , M. , and Suzuki , S. Research and Development of a Medium Duty DME Truck SAE Technical Paper 2005-01-2194 2005 10.4271/2005-01-2194
- Liu , J. , Liu , S. , Li , Y. , Wei , Y. , Li , G. , Zhu , Z. Regulated and Nonregulated Emissions from a Dimethyl Ether Powered Compression Ignition Engine Energy Fuels 24 2465 2469 2010
- Kim , M.Y. , Yoon , S.H. , Ryu , B.W. , Lee , C.S. Combustion and Emission Characteristics of DME as an Alternative Fuel for Compression Ignition Engines with a High Pressure Injection System Fuel 87 12 2779 2786 2008
- Cung , K. , Johnson , J. , and Lee , S. Development of Chemical Kinetic Mechanism for Dimethyl Ether (DME) with Comprehensive Polycyclic Aromatic Hydrocarbon (PAH) and NOx Chemistry SAE Technical Paper 2015-01-0807 2015 10.4271/2015-01-0807
- Dagaut , P. , Boettner , J.C. , Cathonnet , M. Chemical Kinetic Study of Dimethylether Oxidation in a Jet Stirred Reactor from 1 to 10 Atm: Experiments and Kinetic Modeling Proc. Combust. Inst. 627 632 1996
- Dagaut , P. , Daly , C. , Simmie , J.M. , Cathonnet , M. The Oxidation and Ignition of Dimethylether from Low to High Temperature (500-1600 K): Experiments and Kinetic Modeling Proc. Combust. Inst. 361 369 1998
- Curran , H.J. , Pitz , W.J. , Westbrook , C.K. , Dagaut , P. , Boettner , J.C. , Cathonnet , M. A Wide Range Modeling Study of Dimethyl Ether Oxidation Int. J. Chem. Kinet. 30 3 229 241 1998
- Curran , H.J. , Fischer , S.L. , Dryer , F.L. The Reaction Kinetics of Dimethyl Ether. Ii: Low-Temperature Oxidation in Flow Reactors Int. J. Chem. Kinet. 32 12 741 759 2000
- Fischer , S.L. , Dryer , F.L. , Curran , H.J. The Reaction Kinetics of Dimethyl Ether. I: High-Temperature Pyrolysis and Oxidation in Flow Reactors Int. J. Chem. Kinet. 32 12 713 740 2000
- Zhao , Z. , Chaos , M. , Kazakov , A. , Dryer , F.L. Thermal Decomposition Reaction and a Comprehensive Kinetic Model of Dimethyl Ether Int. J. Chem. Kinet. 40 1 1 18 2008
- Burke , U. , Somers , K.P. , O'Toole , P. , Zinner , C.M. , Marquet , N. , Bourque , G. , Petersen , E.L. , Metcalfe , W.K. , Serinyel , Z. , Curran , H.J. An Ignition Delay and Kinetic Modeling Study of Methane, Dimethyl Ether, and Their Mixtures at High Pressures Combust. Flame 162 2 315 330 2015
- Metcalfe , W.K. , Burke , S.M. , Ahmed , S.S. , Curran , H.J. A Hierarchical and Comparative Kinetic Modeling Study of C1-C2 hydrocarbon and Oxygenated Fuels Int. J. Chem. Kinet. 45 10 638 675 2013
- Prince , J.C. , Williams , F.A. A Short Reaction Mechanism for the Combustion of Dimethyl-Ether Combust. Flame 162 10 3589 3595 2015
- Prince , J.C. , Williams , F.A. Short Chemical-Kinetic Mechanisms for Low-Temperature Ignition of Propane and Ethane Combust. Flame 159 7 2336 2344 2012
- Dames , E.E. , Rosen , A.S. , Weber , B.W. , Gao , C.W. , Sung , C.-J. , Green , W.H. A Detailed Combined Experimental and Theoretical Study on Dimethyl Ether/Propane Blended Oxidation Combust. Flame 168 310 330 2016
- Beeckmann , J. , Cai , L. , Röhl , O. , Pitsch , H. et al. A Reduced Kinetic Reaction Mechanism for the Autoignition of Dimethyl Ether SAE Technical Paper 2010-01-2108 2010 10.4271/2010-01-2108
- Pan , L. , Kokjohn , S. , Huang , Z. Development and Validation of a Reduced Chemical Kinetic Model for Dimethyl Ether Combustion Fuel 160 165 177 2015
- Kim , H. , Cho , S. , and Min , K. Reduced Chemical Kinetic Model of DME for HCCI Combustion SAE Technical Paper 2003-01-1822 2003 10.4271/2003-01-1822
- Chin , G.T. , Chen , J.Y. , Rapp , V.H. , Dibble , R.W. Development and Validation of a Reduced DME Mechanism Applicable to Various Combustion Modes in Internal Combustion Engines J. Combust. 630580 630588 2011
- Guo , H. , Sun , W. , Haas , F.M. , Farouk , T. , Dryer , F.L. , Ju , Y. Measurements of H2O2 in Low Temperature Dimethyl Ether Oxidation Proc. Combust. Inst. 34 573 581 2013
- Reitz , R.D. , Duraisamy , G. Review of High Efficiency and Clean Reactivity Controlled Compression Ignition (RCCI) Combustion in Internal Combustion Engines Prog. Energ. Combust. Sci. 46 12 71 2015
- Saxena , S. , Bedoya , I.D. Fundamental Phenomena Affecting Low Temperature Combustion and HCCI Engines, High Load Limits and Strategies for Extending These Limits Prog. Energ. Combust. Sci. 39 5 457 488 2013
- Chang , Y. , Jia , M. , Li , Y. , Liu , Y. , Xie , M. , Wang , H. , Reitz , R.D. Development of a Skeletal Mechanism for Diesel Surrogate Fuel by Using a Decoupling Methodology Combust. Flame 162 10 3785 3802 2015
- Jiang , X. , Deng , F. , Yang , F. , Zhang , Y. , Huang , Z. High Temperature Ignition Delay Time of DME/N-Pentane Mixture under Fuel Lean Condition Fuel 191 77 86 2017
- Chang , Y. , Jia , M. , Xiao , J. , Li , Y. , Fan , W. , Xie , M. Construction of a Skeletal Mechanism for Butanol Isomers Based on the Decoupling Methodology Energ. Convers. Manage. 128 250 260 2016
- Pfahl , U. , Fieweger , K. , Adomeit , G. Self-Ignition of DieselRelevant Hydrocarbon-Air Mixtures under Engine Conditions Proc. Combust. Inst. 781 789 1996
- Polifke , W. , Geng , W. , Döbbeling , K. Optimization of Rate Coefficients for Simplified Reaction Mechanisms with Genetic Algorithms Combust. Flame 113 1-2 119 134 1998
- Elliott , L. , Ingham , D.B. , Kyne , A.G. , Mera , N.S. , Pourkashanian , M. , Wilson , C.W. Genetic Algorithms for Optimisation of Chemical Kinetics Reaction Mechanisms Prog. Energ. Combust. Sci. 30 3 297 328 2004
- Sikalo , N. , Hasemann , O. , Schulz , C. , Kempf , A. , Wlokas , I. A Genetic Algorithm-Based Method for the Optimization of Reduced Kinetics Mechanisms Int. J. Chem. Kinet. 47 11 695 723 2015
- Aldawood , A. , Mosbach , S. , Kraft , M. , and Amer , A. Multi-Objective Optimization of a Kinetics-Based HCCI Model Using Engine Data SAE Technical Paper 2011-01-1783 2011 10.4271/2011-01-1783
- Halsall-Whitney , H. , Thibault , J. Multi-Objective Optimization for Chemical Processes and Controller Design: Approximating and Classifying the Pareto Domain Comput. Chem. Eng. 30 6-7 1155 1168 2006
- Kee R.J. , Rupley F.M. , Meeks E. , Miller , J.A. Chemkin-III: A Fortran Chemical Kinetics Package for the Analysis of Gasphase Chemical and Plasma Kinetics Sandia National Laboratories 1996
- Deb , K. , Pratap , A. , Agarwal , S. , Meyarivan , T. A Fast and Elitist Multiobjective Genetic Algorithm: NSGA-II Trans. Evol. Comp 6 2 182 197 2002
- Xing , L.-l. , Zhang , X.-y. , Wang , Z.-d. , Li , S. , Zhang , L.-d. New Insight into Competition between Decomposition Pathways of Hydroperoxymethyl Formate in Low Temperature DME Oxidation Chinese J. Chem. Phys. 28 5 563 572 2015
- Cai , L. , Pitsch , H. Mechanism Optimization Based on Reaction Rate Rules Combust. Flame 161 2 405 415 2014
- Li , Z. , Wang , W. , Huang , Z. , Oehlschlaeger , M.A. Dimethyl Ether Autoignition at Engine-Relevant Conditions Energy Fuels 27 5 2811 2817 2013
- Rodriguez , A. , Frottier , O. , Herbinet , O. , Fournet , R. , Bounaceur , R. , Fittschen , C. , Battin-Leclerc , F. Experimental and Modeling Investigation of the Low-Temperature Oxidation of Dimethyl Ether J. Phys. Chem. A 119 28 7905 7923 2015
- Liu , D. , Santner , J. , Togbe , C. , Felsmann , D. , Koppmann , J. , Lackner , A. , Yang , X. , Shen , X. , Ju , Y. , Kohse-Hoeinghaus , K. Flame Structure and Kinetic Studies of Carbon Dioxide-Diluted Dimethyl Ether Flames at Reduced and Elevated Pressures Combust. Flame 160 12 2654 2668 2013
- Qin , X. , Ju Y. Measurements of Burning Velocities of Dimethyl Ether and Air Premixed Flames at Elevated Pressures Proc. Combust. Inst. 30 233 240 2004
- de Vries , J. , Lowry , W.B. , Serinyel , Z. , Curran , H.J. , Petersen , E.L. Laminar Flame Speed Measurements of Dimethyl Ether in Air at Pressures up to 10 Atm Fuel 90 1 331 338 2011
- Jeon , J. , Kwon , S.I. , Park , Y.H. , Oh , Y. , Park , S. Visualizations of Combustion and Fuel/Air Mixture Formation Processes in a Single Cylinder Engine Fueled with DME Appl. Energ. 113 294 301 2014
- Amsden A.A. KIVA-3V: A Block-Structured KIVA Program for Engines with Vertical or Canted Values, Report No. LA-13313-MS Los Alamos National Laboratories 1997