LES and RANS Spray Combustion Analysis of OME 3-5 and n-Dodecane

Frederik Wiesmann (), Tuan M. Nguyen, Julien Manin, Lyle M. Pickett, Kevin Wan, Fabien Tagliante and Thomas Lauer
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Frederik Wiesmann: Institute of Powertrains and Automotive Technology, TU Wien, 1060 Vienna, Austria
Tuan M. Nguyen: Sandia National Laboratories, 7011 East Ave, Livermore, CA 94551, USA
Julien Manin: Sandia National Laboratories, 7011 East Ave, Livermore, CA 94551, USA
Lyle M. Pickett: Sandia National Laboratories, 7011 East Ave, Livermore, CA 94551, USA
Kevin Wan: Sandia National Laboratories, 7011 East Ave, Livermore, CA 94551, USA
Fabien Tagliante: Sandia National Laboratories, 7011 East Ave, Livermore, CA 94551, USA
Thomas Lauer: Institute of Powertrains and Automotive Technology, TU Wien, 1060 Vienna, Austria

Energies, 2024, vol. 17, issue 10, 1-26

Abstract: Clean-burning oxygenated and synthetic fuels derived from renewable power, so-called e-fuels, are a promising pathway to decarbonize compression–ignition engines. Polyoxymethylene dimethyl ethers (PODEs or OMEs) are one candidate of such fuels with good prospects. Their lack of carbon-to-carbon bonds and high concentration of chemically bound oxygen effectively negate the emergence of polycyclic aromatic hydrocarbons (PAHs) and even their precursors like acetylene ( C 2 H 2 ), enabling soot-free combustion without the soot- NO x trade-off common for diesel engines. The differences in the spray combustion process for OMEs and diesel-like reference fuels like n-dodecane and their potential implications on engine applications include discrepancies in the observed ignition delay, the stabilized flame lift-off location, and significant deviations in high-temperature flame morphology. For CFD simulations, the accurate modeling and prediction of these differences between OMEs and n-dodecane proved challenging. This study investigates the spray combustion process of an OME 3 − 5 mixture and n-dodecane with advanced optical diagnostics, Reynolds-Averaged Navier–Stokes (RANS), and Large-Eddy Simulations (LESs) within a constant-volume vessel. Cool-flame and high-temperature combustion were measured simultaneously via high-speed (50 kHz) imaging with formaldehyde ( CH 2 O ) planar laser-induced fluorescence (PLIF) representing the former and line-of-sight OH* chemiluminescence the latter. Both RANS and LES simulations accurately describe the cool-flame development process with the formation of CH 2 O . However, CH 2 O consumption and the onset of high-temperature reactions, signaled by the rise of OH* levels, show significant deviations between RANS, LES, and experiments as well as between n-dodecane and OME. A focus is set on the quality of the simulated results compared to the experimentally observed spatial distribution of OH* , especially in OME fuel-rich regions. The influence of the turbulence modeling is investigated for the two distinct ambient temperatures of 900 K and 1200 K within the Engine Combustion Network Spray A setup. The capabilities and limitations of the RANS simulations are demonstrated with the initial cool-flame propagation and periodic oscillations of CH 2 O formation/consumption during the quasi-steady combustion period captured by the LES.

Keywords: CFD; OME; PODE; polyoxymethylene ether; e-fuels; oxygenated fuels; ECN; RANS; LES; spray combustion (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2024
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