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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 O2/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, time‐resolved 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 C3H3 + O2 = CH2CO + HCO reaction are suggested based on the current investigation. [ABSTRACT FROM AUTHOR]

Ethanol oxidation was studied by measuring CO time-histories and ignition delay times behind reflected shockwaves at elevated pressures. In this study, experimental conditions included a temperature range of 960–1580 K, pressure range of 17.8–23.9 atm, and initial fuel concentrations of 6.54% and 0.25% with nitrogen and argon used as bath gasses, respectively. The equivalence ratio for high fuel loading was kept constant at 1.0, and for low fuel loading equivalence ratios were 1.0 and 0.5. For high fuel loading, early heat/energy release was observed in nearly all ignition delay time measurements, indicative of preignition; however, data collected are in good agreement with model predictions. These events are interpreted as a transition from mild to strong ignition. For the low fuel loading cases (ϕ = 1.0 and 0.5), no early heat/energy release was observed. Comparisons of measured CO concentration profiles with the predictions from kinetic mechanisms of Metcalfe et al. (2013), Mittal et al. (2014), and Zhang et al. (2018) were made assuming constant internal energy and volume for the test gas. Such comparisons in addition with performed sensitivity and pathway analyses for CO formation revealed lower temperature sensitivity to the bimolecular reaction of methyl and hydroperoxyl radicals given by CH 3 + HO 2 CH 3 O + OH, and H-atom abstraction by the hydroperoxyl radical at the alpha site on ethanol given by elementary reaction C 2 H 5 OH + HO 2 sC 2 H 4 OH + H 2 O 2. The current study provides important validation targets for ethanol chemical kinetic mechanisms and highlights the benefits of time-history measurements at various temperatures and pressures in a shock tube, which are scare in the literature. [ABSTRACT FROM AUTHOR]

ABSTRACT: Ignition delay time (IDT) is a useful global metric for fuel performance screening and a major target for kinetic modeling. Measurements of IDT are conceptually straightforward; however, interpretation could be complicated, especially for systems with changing temperature and pressure. Some experimental conditions in the high repetition rate miniature shock tube (HRRST) exhibit complex temperature and pressure state histories. To better interpret and correlate IDTs, especially those obtained in reactors with varying thermodynamic conditions, an inverse Livengood–Wu (L‐W) integral technique is applied to deconvolve the constant condition IDTs from measured IDTs in the HRRST using information on the varying state history. In this paper, the approximate problem is demonstrated using only the measured pressure history leading up to ignition, where the temperature history is estimated based on an isentropic assumption. The IDTs of several fuels were first measured in the HRRST including isooctane and acetone to represent those fuels without strong low‐temperature chemistry effects. Based on the measured pressure and approximated temperature history, measurements of IDTs in the HRRST compare very favorably with those measured using more conventional techniques, including conventionally sized shock tubes, via the inverse L‐W correlation with relaxed Newton iteration and genetic algorithm. This study demonstrates the feasibility of using a high throughput ignition testing facility, like the HRRST to extract the constant state IDT measured in regular shock tubes, assisted by the inverse L‐W correlation. It is expected with an independent temperature measurement available in the future, IDTs in a broader range of thermodynamic conditions and effects of heat loss could be better resolved. [ABSTRACT FROM AUTHOR]

A new shock tube facility has been designed, constructed, and characterized at the University of Central Florida. This facility is capable of withstanding pressures of up to 1000 atm, allowing for combustion diagnostics of extreme conditions, such as in rocket combustion chambers or in novel power conversion cycles. For studies with toxic gas impurities, the high initial pressures required the development of a gas delivery system to ensure the longevity of the facility and the safety of the personnel. Data acquisition and experimental propagation were implemented with remote access to ensure safety, paired with a LabVIEW- and Python-based user interface. Thus far, test pressures of 270 atm, blast pressures of 730 atm, and temperatures approaching 10 000 K have been achieved. The extreme limitations of this facility allow for emission spectroscopy to be performed during the oxidation of fuel mixtures, e.g., alkanes diluted in argon and carbon dioxide. Ignition delay times were determined and compared to simulations using chemical kinetic mechanisms. The design, experimental procedures, processes of analysis, and uncertainty determination are outlined, and typical pressure profiles are compared with a new gas dynamics solver and empirical correlations developed across multiple shock tube facilities. Preliminary reactive mixture analyses are included with further investigation of the mixtures outlined. [ABSTRACT FROM AUTHOR]

The ignition, oxidation, and pyrolysis chemistry of methyl propyl ether (MPE) was probed experimentally at several different conditions, and a comprehensive chemical kinetic model was constructed to help understand the observations, with many of the key parameters computed using quantum chemistry and transition state theory. Experiments were carried out in a shock tube measuring time variation of CO concentrations, in a flow tube measuring product concentrations, and in a rapid compression machine (RCM) measuring ignition delay times. The detailed reaction mechanism was constructed using the Reaction Mechanism Generator software. Sensitivity and flux analyses were used to identify key rate and thermochemical parameters, which were then computed using quantum chemistry to improve the mechanism. Validation of the final model against the 1–20 bar 600–1500 K experimental data is presented with a discussion of the kinetics. The model is in excellent agreement with most of the shock tube and RCM data. Strong non‐monotonic variation in conversion and product distribution is observed in the flow‐tube experiments as the temperature is increased, and unusually strong pressure dependence and significant heat release during the compression stroke is observed in the RCM experiments. These observations are largely explained by a close competition between radical decomposition and addition to O2 at different sites in MPE; this causes small shifts in conditions to lead to big shifts in the dominant reaction pathways. The validated mechanism was used to study the chemistry occurring during ignition in a diesel engine, simulated using Ignition Quality Test (IQT) conditions. At the IQT conditions, where the MPE concentration is higher, bimolecular reactions of peroxy radicals are much more important than in the RCM. [ABSTRACT FROM AUTHOR]

A TRAnsparent cylindrical (TRAC) shock tube test section has been developed to explore the ignition structure behind reflected shockwaves via simultaneous lateral and endwall high-speed imaging using three fuel/oxidizer mixtures: 0.1% n-C 7 H 16 /1.10% O 2 /4.14% N 2 /94.66% Ar, 0.1% iC 8 H 18 /1.25% O 2 /4.69% N 2 /93.96% Ar, and 5% CH 4 /10% O 2 /85% CO 2. During mild ignition, the first exothermic centers were located outside of the observable test section. It is shown that with increasing temperature the far-wall ignition events move closer to the endwall, until a strong ignition is achieved. The temperature gradients that promote mild ignition were quantified and were found to have a slight dependence on fuel with the RMS temperature gradients being 0.80% for n-heptane and 1.07% for isooctane. The impact of temperature gradients on metrics used to improve kinetic models, such as species time histories, is noteworthy. From this temperature gradient, an experimental correlation is provided to estimate the transition temperature from mild to strong ignition for a mixture. The effect of diagnostic location in non-homogeneous reactions is quantified in reference to ignition delay. The unique and insightful perspective on the ignition process under heavy shock bifurcation is also discussed. [ABSTRACT FROM AUTHOR]

Cyclopentanone (CPO) is a promising biofuel for spark-ignition engines due to its ring strain and high auto-ignition resistance. Understanding CPO decomposition is crucial for building a high-temperature combustion model. Here we present a comprehensive kinetic model for high-temperature pyrolysis of CPO with verified results from high-pressure shock tube (HPST) measurements. The time-histories of carbon monoxide (CO), ethylene (C 2 H 4), and CPO absorbances over the temperature range of 1156–1416 K and pressure range of 8.53–10.06 atm were measured during current experiments. A corresponding detailed kinetic model was generated using the Reaction Mechanism Generator (RMG) with dominant unimolecular/radical-involved decomposition pathways from either previous studies or quantum calculations within the current work. The obtained model containing 821 species and 79,859 reactions exhibited a good agreement with the experimental results. In this study, the absorbance ratio between C 2 H 4 and CO was used as an important factor to validate models and to prove that radical-involved bimolecular pathways were as significant as unimolecular decomposition of CPO. The rate of production (ROP) analysis showed H radicals play a major role in the decomposition, and the whole decomposition process could be divided into three stages based on the H radical concentration. The insights from present work can be used to generate a better CPO combustion model and help evaluate CPO as an advanced biofuel. [ABSTRACT FROM AUTHOR]

Carbon monoxide time-histories, ignition delay times, and laminar burning velocity measurements are reported for the oxidation of 3-methyl-2-buten-1-ol (prenol) and 3-methyl-3-buten-1-ol (isoprenol). These prenols are fuel candidates outlined by the U.S. Department of Energy's Co-Optimization of Fuels and Engines (Co-Optima) program. The laminar burning velocity measurements were conducted for two fuels with synthetic air within a constant-volume spherical combustion chamber at initial conditions of 428 K and 1 atm for a range of equivalence ratios from 0.75 to 1.50. The laminar burning velocities of the two fuels were found to be similar, and the maximum value occurred at an equivalence ratio near 1.0. Carbon monoxide time-histories and ignition delay times were recorded behind reflected shockwaves in a double-diaphragm, heated shock tube over the temperature range 1269–1472 K near 9.4 atm with a mixture of 0.05% fuel/0.35% O 2 /99.6% Ar. Comparisons with predictions of a detailed chemical kinetic mechanism from the literature were provided. Current model predictions overpredicted both the ignition delay time and the max CO yield; however, the model captured the profile of CO formation well. Detailed uncertainty and sensitivity analyses were carried out to identify important reactions that need attention for accurate prediction of these fuel's chemistry. Further investigation into the rate of C 3 H 3 + O 2 = CH 2 CO + HCO reaction was suggested based on current experiments. The experimental data and analysis presented here is critical in the development, validation and improvement of kinetic models of these promising Co-Optima fuels. [ABSTRACT FROM AUTHOR]

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 (Co-Optima) initiative from the US Department of Energy (DOE) is focused on accelerating the introduction of affordable, scalable, and sustainable biofuels and high-efficiency, low-emission vehicle engines. The Co-Optima program has identified a handful of biofuel compounds from a list of thousands of potential candidates. In this study, a shock tube was used to evaluate the performance of soot reduction of five high-performance biofuels downselected by the Co-Optima program. Current experiments were performed at test conditions between 1,700 and 2,100 K and 4 and 4.7 atm using shock tube and ultrafast, time-resolve laser absorption diagnostic techniques. The combination of shock heating and nonintrusive laser detection provides a state-of-the-art test platform for high-temperature soot formation under engine conditions. Soot reduction was found in ethanol, cyclopentanone, and methyl acetate; conversely, an α-diisobutylene and methyl furan produced more soot compared to the baseline over longer test times. For each biofuel, several reaction pathways that lead towards soot production were identified. The data collected in these experiments are valuable information for the future of renewable biofuel development and their applicability in engines. [ABSTRACT FROM AUTHOR]