Abstract:Soot emissions in combustion are unwanted consequences of burning hydrocarbon fuels. The presence of soot during and following combustion processes is an indication of incomplete combustion and has several negative consequences including the emission of harmful particulates and increased operational costs. Efforts have been made to reduce soot production in combustion engines through utilizing oxygenated biofuels in lieu of traditional nonoxygenated feedstocks. The ongoing Co-Optimization of Fuels and Engines … Show more
“…7 , species that have been either identified directly from intensity plots or from the presence of a signal at a given m/z channel are depicted. Additionally, for ultra-fuel-rich flames, a soot sub-mechanism should be included 16 . Figure 7 Identified byproducts from initiating reactions of α- and β-DIB.…”
Section: Resultsmentioning
confidence: 99%
“…However, while ethanol is advantageous, producing little soot 16 , it has several disadvantages among which are its relatively low energy density, high combustion temperature, poor seal compatibility, and hydrophilicity. Over the last decade (2010–2020), researchers have examined a variety of other biofuels to replace or augment fossil fuels.…”
Biofuels are a promising ecologically viable and renewable alternative to petroleum fuels, with the potential to reduce net greenhouse gas emissions. However, biomass sourced fuels are often produced as blends of hydrocarbons and their oxygenates. Such blending complicates the implementation of these fuels in combustion applications. Variations in a biofuel’s composition will dictate combustion properties such as auto ignition temperature, reaction delay time, and reaction pathways. A handful of novel drop-in replacement biofuels for conventional transportation fuels have recently been down selected from a list of over 10,000 potential candidates as part of the U.S. Department of Energy’s (DOE) Co-Optimization of Fuels and Engines (Co-Optima) initiative. Diisobutylene (DIB) is one such high-performing hydrocarbon which can readily be produced from the dehydration and dimerization of isobutanol, produced from the fermentation of biomass-derived sugars. The two most common isomers realized, from this process, are 2,4,4-trimethyl-1-pentene (α-DIB) and 2,4,4-trimethyl-2-pentene (β-DIB). Due to a difference in olefinic bond location, the α- and β- isomer exhibit dramatically different ignition temperatures at constant pressure and equivalence ratio. This may be attributed to different fragmentation pathways enabled by allylic versus vinylic carbons. For optimal implementation of these biofuel candidates, explicit identification of the intermediates formed during the combustion of each of the isomers is needed. To investigate the combustion pathways of these molecules, tunable vacuum ultraviolet (VUV) light (in the range 8.1–11.0 eV) available at the Lawrence Berkeley National Laboratory’s Advanced Light Source (ALS) has been used in conjunction with a jet stirred reactor (JSR) and time-of-flight mass spectrometry to probe intermediates formed. Relative intensity curves for intermediate mass fragments produced during this process were obtained. Several important unique intermediates were identified at the lowest observable combustion temperature with static pressure of 93,325 Pa and for 1.5 s residence time. As this relatively short residence time is just after ignition, this study is targeted at the fuels’ ignition events. Ignition characteristics for both isomers were found to be strongly dependent on the kinetics of C4 and C7 fragment production and decomposition, with the tert-butyl radical as a key intermediate species. However, the ignition of α-DIB exhibited larger concentrations of C4 compounds over C7, while the reverse was true for β-DIB. These identified species will allow for enhanced engineering modeling of fuel blending and engine design.
“…7 , species that have been either identified directly from intensity plots or from the presence of a signal at a given m/z channel are depicted. Additionally, for ultra-fuel-rich flames, a soot sub-mechanism should be included 16 . Figure 7 Identified byproducts from initiating reactions of α- and β-DIB.…”
Section: Resultsmentioning
confidence: 99%
“…However, while ethanol is advantageous, producing little soot 16 , it has several disadvantages among which are its relatively low energy density, high combustion temperature, poor seal compatibility, and hydrophilicity. Over the last decade (2010–2020), researchers have examined a variety of other biofuels to replace or augment fossil fuels.…”
Biofuels are a promising ecologically viable and renewable alternative to petroleum fuels, with the potential to reduce net greenhouse gas emissions. However, biomass sourced fuels are often produced as blends of hydrocarbons and their oxygenates. Such blending complicates the implementation of these fuels in combustion applications. Variations in a biofuel’s composition will dictate combustion properties such as auto ignition temperature, reaction delay time, and reaction pathways. A handful of novel drop-in replacement biofuels for conventional transportation fuels have recently been down selected from a list of over 10,000 potential candidates as part of the U.S. Department of Energy’s (DOE) Co-Optimization of Fuels and Engines (Co-Optima) initiative. Diisobutylene (DIB) is one such high-performing hydrocarbon which can readily be produced from the dehydration and dimerization of isobutanol, produced from the fermentation of biomass-derived sugars. The two most common isomers realized, from this process, are 2,4,4-trimethyl-1-pentene (α-DIB) and 2,4,4-trimethyl-2-pentene (β-DIB). Due to a difference in olefinic bond location, the α- and β- isomer exhibit dramatically different ignition temperatures at constant pressure and equivalence ratio. This may be attributed to different fragmentation pathways enabled by allylic versus vinylic carbons. For optimal implementation of these biofuel candidates, explicit identification of the intermediates formed during the combustion of each of the isomers is needed. To investigate the combustion pathways of these molecules, tunable vacuum ultraviolet (VUV) light (in the range 8.1–11.0 eV) available at the Lawrence Berkeley National Laboratory’s Advanced Light Source (ALS) has been used in conjunction with a jet stirred reactor (JSR) and time-of-flight mass spectrometry to probe intermediates formed. Relative intensity curves for intermediate mass fragments produced during this process were obtained. Several important unique intermediates were identified at the lowest observable combustion temperature with static pressure of 93,325 Pa and for 1.5 s residence time. As this relatively short residence time is just after ignition, this study is targeted at the fuels’ ignition events. Ignition characteristics for both isomers were found to be strongly dependent on the kinetics of C4 and C7 fragment production and decomposition, with the tert-butyl radical as a key intermediate species. However, the ignition of α-DIB exhibited larger concentrations of C4 compounds over C7, while the reverse was true for β-DIB. These identified species will allow for enhanced engineering modeling of fuel blending and engine design.
“…All experiments were performed in the high purity, double-diaphragm shock tube facility located at the University of Central Florida in Orlando, Florida (see refs. [11,18,[24][25][26][27][28][29][30][31][32]). This shock tube has an internal diameter of 14.17 cm.…”
Ignition delay times were measured for methane/O2 mixtures in a high dilution environment of either CO2 or N2 using a shock tube facility. Experiments were performed between 1044 K and 1356 K at pressures near 16 ± 2 atm. Test mixtures had an equivalence ratio of 1.0 with 16.67% CH4, 33.33% O2, and 50% diluent. Ignition delay times were measured using OH* emission and pressure time-histories. Data were compared to the predictions of two literature kinetic mechanisms (ARAMCO MECH 2.0 and GRI Mech 3.0). Most experiments showed inhomogeneous (mild) ignition which was deduced from five time-of-arrival pressure transducers placed along the driven section of the shock tube. Further analysis included determination of blast wave velocities and locations away from the end wall of initial detonations. Blast velocities were 60–80% of CJ-Detonation calculations. A narrow high temperature region within the range was identified as showing homogenous (strong) ignition which showed generally good agreement with model predictions. Model comparisons with mild ignition cases should not be used to further refine kinetic mechanisms, though at these conditions, insight was gained into various ignition behavior. To the best of our knowledge, we present first shock tube data during ignition of high fuel loading CH4/O2 mixtures diluted with CO2 and N2.
“…Oxidation experiments of methyl butene isomers were conducted in a double‐diaphragm, stainless‐steel shock tube of 14.17 cm inner diameter located at the University of Central Florida (UCF), specific details of which can be found in Refs. 20‐29. Five piezoelectric pressure transducers spaced along the last 1.4 m of the shock tube and connected to four time‐interval counters were used to measure the incident shock velocity.…”
Section: Experimental Setup and Proceduresmentioning
Shock tube experiments have been carried out on 2-methyl-1-butene (2M1B), 2-methyl-2-butene (2M2B), and 3-methyl-1-butene (3M1B)-the three isomers of methyl butene compound. Carbon monoxide (CO) time-histories and ignition delay times are obtained behind reflected shockwaves over the temperature range of 1350-1630 K and pressures of 8.3-10.5 atm with stoichiometric mixtures of 0.075% fuel in O 2 /Ar. Comparative ignition study reveals that 3M1B ignites significantly faster than the other two isomers, while 2M1B dissociates earlier but ignites later than 2M2B. Possible mechanisms for this behavior are discussed with ignition delay time sensitivity and reaction path analysis. In addition, timeresolved CO measurements are compared with three different reaction mechanisms from the literature. Sensitivity analyses have been carried out to identify important reactions that need attention to accurately predict the chemistry of these isomers. Further investigation into the rates of unimolecular fuel decomposition reactions and C 3 H 3 + O 2 = CH 2 CO + HCO reaction are suggested based on the current investigation.
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