Predicting Fundamental Combustion Properties and Products from Synthetic Oxymethylene Ethers as an E-diesel Blendstock

Hwasup Song; Jaeho Wi

doi:10.15231/jksc.2022.27.4.020

All Issue

2022 Vol.27, Issue 4 Preview Page Next Page

Research Article

Predicting Fundamental Combustion Properties and Products from Synthetic Oxymethylene Ethers as an E-diesel Blendstock 경유 대체 합성연료로서 OME 혼합 사용시 예상되는 기본 연소 특성 변화 및 생성물 예측

31 December 2022. pp. 20-28

PDF XML

Abstract

Ignition delay times and counterflow diffusion flame products are predicted by blending oxymethylene ether-2 (OME-2) into a surrogate diesel. OME-2 is one of a promising e-diesel blendstock which is synthesized from carbon dioxide and hydrogen, thereby reducing net carbon emission from a carbon life-cycle perspective. Results show that OME-2 is more reactive in engine-relevant conditions and the formation of particulate matter from a diffusion flame could be suppressed, thanks to its higher oxygen content. However, potentially harmful intermediates, e.g., formaldehyde and methyl formate, could be formed in large quantity with the use of OME-2, therefore novel combustion strategy and proper exhaust after-treatment system shall be essential for its practical use.

Keywords

E-fuel

Oxymethylene ether

Reaction mechanism

Carbon neutrality

Ignition delay

Diffusion flame

References

IEA World Energy Outlook 2020, International Energy Agency, 2020.

S.A. Issacs, M.D. Staples, F. Allroggen, D.S. Mallapragada, C.P. Falter, S.R.H. Barret, Environmental and Economic Performance of Hybrid Power-to-Liquid and Biomass-to-Liquid Fuel Production in the United States, Environ. Sci. Technol. 55(12) (2021) 8247-8257. 10.1021/acs.est.0c0767434081455

V. Dieterich, A. Buttler, A. Hanel, H. Spliethoff, S. Fendt, Power-to-liquid via synthesis of methanol, DME or Fischer-Tropsch-fuels: a review, Energy Environ. Sci. 13(10) (2020) 3207-3252. 10.1039/D0EE01187H

A. Omari, B. Heuser, S. Pischinger, C. Rüdinger, Potential of long-chain oxymethylene ether and oxymethylene ether-diesel blends for ultra-low emission engines, Appl. Energy 239 (2019) 1242-1249. 10.1016/j.apenergy.2019.02.035

D. Pélerin, K. Gaukel, M. Härtl, E. Jacob, G. Wachtmeister, Potentials to simplify the engine system using the alternative diesel fuels oxymethylene ether OME1 and OME3−6 on a heavy-duty engine, Fuel 259 (2020) 116231. 10.1016/j.fuel.2019.116231

Y. Pei, M. Mehl, W. Liu, T. Lu, W.J. Pitz, S. Som, A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications, J. Eng. Gas Turb. Power 137(11) (2015) 111502 10.1115/1.4030416

K. De Ras, M. Kusenberg, G. Vanhove, Y. Fenard, A. Eschenbacher, R.J. Varghese, J. Aerssens, R.Van de Vijver, L.-S. Tran, J.W. Thybaut, K.M. Van Geem, A detailed experimental and kinetic modeling study on pyrolysis and oxidation of oxymethylene ether-2 (OME-2), Combust. Flame 238 (2022) 111914. 10.1016/j.combustflame.2021.111914

L. Marrodán, E. Royo, Á. Millera, R. Bilbao, M.U. Alzueta, High pressure oxidation of dimethoxymethane, Energy Fuels 29 (2015) 3507-3517. 10.1021/acs.energyfuels.5b00459

S. Jacobs, M. Döntgen, A.B.S. Alquaity, W.A. Kopp, L.C. Kröger, U. Burke, H. Pitsch, K. Leonhard, H.J. Curran, K.A. Heufer, Detailed kinetic modeling of dimethoxymethane. Part II: experimental and theoretical study of the kinetics and reaction mechanism, Combust. Flame 205 (2019) 522-533. 10.1016/j.combustflame.2018.12.026

L. Golka, I. Weber, M. Olzmann, Pyrolysis of dimethoxymethane and the reaction of dimethoxymethane with H atoms: a shock-tube/ARAS/TOF-MS and modeling study, Proc. Combust. Inst. 37 (2019) 179-187. 10.1016/j.proci.2018.05.036

T. He, Z. Wang, X. You, H. Liu, Y. Wang, X. Li, X. He, A chemical kinetic mechanism for the low- and intermediate-temperature combustion of Polyoxymethylene Dimethyl Ether 3 (PODE3), Fuel 212 (2018) 223-235. 10.1016/j.fuel.2017.09.080

W. Sun, G. Wang, S. Li, R. Zhang, B. Yang, J. Yang, Y, Li, C.K. Westbrook, C.K. Law, Speciation and the laminar burning velocities of poly(oxymethylene) dimethyl ether 3 (POMDME3) flames: an experimental and modeling study, Proc. Combust. Inst. 36 (2017) 1269-1278. 10.1016/j.proci.2016.05.058

C.W. Gao, J.W. Allen, W.H. Green, R.H. West, Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms, Comput. Phys. Commun. 203 (2016) 212-225. Available at: https://rmg.mit.edu 10.1016/j.cpc.2016.02.013

D.G. Goodwin, H.K. Moffat, I. Schoegl, R.L. Speth, B.W. Weber, Cantera: An object-oriented software toolkit for chemical kinetics, thermodynamics, and transport processes, Available at: https://www.cantera.org (2022) Version 2.6.0.

B. Chen, M. Hellmuth, S. Faller, L. May, P. Liu, L. Cai, W.L. Roberts, H. Pitsch, Exploring the combustion chemistry of anisole in laminar counterflow diffusion- flames under oxy-fuel conditions, Combust. Flame 243 (2022) 111929. 10.1016/j.combustflame.2021.111929

L. Xu, F. Yan, Y. Wang, A comparative study of the sooting tendencies of various C5-C8 alkanes, alkenes and cycloalkanes in counterflow diffusion flames, Appl. Energy Combust. Sci. 1-4 (2020) 100007. 10.1016/j.jaecs.2020.100007PMC7557285

S.M. Sarathy, M.J. Thomson, W.J. Pitz, T. Lu, An experimental and kinetic modeling study of methyl decanoate combustion, Proc. Combust. Inst. 33(1) (2011), 399-405. 10.1016/j.proci.2010.06.058

K. Seshadri, F.A. Williams, Laminar flow between parallel plates with injection of a reactant at high reynolds number, Int. J. Heat Mass Transfer 21(2) (1978) 251-253. 10.1016/0017-9310(78)90230-2

J.A. Cooke, M. Bellucci, M.D. Smooke, A. Gomez, A. Violi, T. Faravelli, E. Ranzi, Computational and experimental study of JP-8, a surrogate, and its component in counterflow diffusion flames, Proc. Combust. Inst. 30 (2005) 439-446. 10.1016/j.proci.2004.08.046

J. Yanowitz, M.A. Ratcliff, R.L. McCormick, J.D. Taylor, M.J. Murphy, Compendium of Experimental Cetane Numbers, National Renewable Energy Laboratory Technical Report NREL/TP-5400-67585 (2017). 10.2172/1345058

S.W. Wagnon, M.S. Wooldridge, Effects of buffer gas composition on autoignition, Combust. Flame 161(4) (2014) 898-907. 10.1016/j.combustflame.2013.09.022

J. Wullenkord, I. Graf, M. Baroncelli, D. Felsmann, L. Cai, H. Pitsch, K. Kohse-Höinghaus, Laminar premiexed and non-premixed flame investigation on the influence of dimethyl ether addition on n-heptane combustion, Combust. Flame 212 (2020) 323-336. 10.1016/j.combustflame.2019.11.012

K.Y. Lee, Effect of Methyl Decanoate Addition on Aromatic Formation in Counterflow Non-premixed Flame of Diesel Fuel Surrogate, J. Korean Soc. Combust. 24(4) (2019) 11-17. 10.15231/jksc.2019.24.4.011

Information

Publisher :The Korean Society of Combustion
Publisher(Ko) :한국연소학회
Journal Title :Journal of the Korean Society of Combustion
Journal Title(Ko) :한국연소학회지
Volume : 27
No :4
Pages :20-28
Received Date : 2022-07-31
Revised Date : 2022-09-20
Accepted Date : 2022-09-22
DOI :https://doi.org/10.15231/jksc.2022.27.4.020

Journal of the Korean Society of Combustion ISSN:1226-0959(Print) 2466-2089(Online) 한국연소학회지

All Issue