Quantifying the effect of difluoromethane on ignition delay times of propane
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Energy & Fuels↗
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The carbon dioxide chaperon efficiency for the reaction H + O2 + M yields HO2 + M from ignition delay times behind reflected shock waves
Ignition delay times for stoichiometric hydrogen-oxygen in argon with and without carbon dioxide were measured behind reflected shock waves. A 20-reaction kinetic mechanism models the measured hydrogen-oxygen delay times over the temperature range 950 to 1300 K. The chaperon efficiency for carbon dioxide determined for the hydrogen-oxygen carbon dioxide mixture was 7.0. This value is in agreement with literature values but much less than a recent value obtained from flow tube experiments. Delay times measured behind a reflected shock wave were about 20% longer than those measured behind incident shock waves. The kinetic mechanism successfully modeled the high-pressure data of Skinner and the hydrogen-air data of Stack. It is suggested that the lowest temperature points for the hydrogen-air data of Slack are unreliable and that the 0.27-atm data may illustrate a case where vibrational relaxation of nitrogen is important. The reaction pathway HO2 yields H2O2 yields OH yields H was required to model the high-pressure data of Skinner. The successful modeling of the stoichiometric hydrogen-air data demonstrates the appropriateness of deriving kinetic models from data for gas mixtures highly diluted with argon. The technique of reducing a detailed kinetic mechanism to only the important reactions for a limited range of experimental data may render the mechanism useless for other test conditions.
Brabbs, Theodore A.↗
DME-Propane Ignition Delay Time Measurements at Mixing Controlled Compression Ignition Engine-Relevant Conditions
The blend of dimethyl ether (DME, CH 3 OCH 3 ) and propane (C 3 H 8 ) is a potentially renewable fuel mixture that has the potential to replace diesel in compression ignition engines. The combination can potentially reduce particulate and greenhouse gas emissions compared to a conventional diesel engine operating under similar conditions. However, detailed conceptual and simulation studies must be conducted before adopting a new fuel on a compression ignition engine. For these simulations, accurate chemical kinetic models are necessary. However, the validity of chemical kinetic mechanisms in the literature is unknown for mixing controlled compression ignition (MCCI) engine operating conditions. Hence, in this work, we studied the ignition of dimethyl ether (DME) and propane blends in a shock tube at MCCI engine conditions. Ignition delay time (IDT) data was collected behind the reflected shock for DME-propane mixtures for heavy-duty compression ignition (CI) engine parameters. Undiluted experiments spanning temperatures of 700 to 1100 K and pressures of 55 to 84 bar for various blends (100% CH 3 OCH 3 / 0% C 3 H 8, 100% C 3 H 8 / 0% CH 3 OCH 3 , 60% CH 3 OCH 3 / 40% C 3 H 8 ) of DME and propane were combusted in synthetic air (21% O 2 / 79% N 2 ). Some experiments were conducted at higher pressures (90-120 bar) to understand model performance at these conditions. Comparisons of IDT were made with the predictions of recent chemical kinetic mechanisms for DME-propane mixture, including the Aramco3.0, NUIG, and Dames et al. mechanisms. All mechanisms overpredicted IDT compared to experimental values. Sensitivity analysis was conducted with Dames et al. model, and critical reactions sensitive to IDT of DME-propane mixture near 100 bar are outlined.
Mohammed, Zuhayr Pasha↗
Hydrogen and Ammonia Blending With Natural Gas: Ignition Delay Times and Chemical Kinetic Model Validation at Gas Turbine Relevant Conditions
Abstract Ignition delay times from undiluted mixtures of natural gas (NG)/H2/Air and NG/NH3/Air were measured using a high-pressure shock tube at the University of Central Florida. The combustion temperatures were experimentally tested between 1000–1500 K near a constant pressure of 25 bar. As mentioned, mixtures were kept undiluted to replicate the same chemistry pathways seen in gas turbine combustion chambers. Recorded combustion pressures exceeded 200 bar due to the large energy release, hence why these were performed at the high-pressure shock tube facility. The data is compared to the predictions of the NUIGMech 1.1 mechanism for chemical kinetic model validation and refinement. An exceptional agreement was shown for stoichiometric conditions in all cases but strayed at lean and rich equivalence ratios, especially in the lower temperature regime of H2 addition and all temperature ranges of the baseline NG mixture. Hydrogen addition also decreased ignition delay times by nearly 90%, while NH3 fuel addition made no noticeable difference in ignition time. NG/NH3 exhibited similar chemistry to pure NG under the same conditions, which is shown in a sensitivity analysis. The reaction CH3 + O2 = CH3O + O is identified and suggested as a possible modification target to improve model performance. Increasing the robustness of chemical kinetic models via experimental validation will directly aid in designing next-generation combustion chambers for use in gas turbines, which in turn will greatly lower global emissions and reduce greenhouse effects.
Pierro, Michael↗
Ignition Delay Times and Chemical Kinetic Model Validation for Hydrogen and Ammonia Blending With Natural Gas at Gas Turbine Relevant Conditions
Ignition delay times from undiluted mixtures of natural gas (NG)/H 2 /Air and NG/NH 3 /Air were measured using a high-pressure shock tube at the University of Central Florida. The combustion temperatures were experimentally tested between 1000 and 1500 K near a constant pressure of 25 bar. As mentioned, mixtures were kept undiluted to replicate the same chemistry pathways seen in gas turbine combustion chambers. Recorded combustion pressures exceeded 200 bar due to the large energy release, hence why these were performed at the high-pressure shock tube facility. The data are compared to the predictions of the NUIGMech 1.1 mechanism for chemical kinetic model validation and refinement. An exceptional agreement was shown for stoichiometric conditions in all cases but strayed at lean and rich equivalence ratios, especially in the lower temperature regime of H 2 addition and all temperature ranges of the baseline NG mixture. Hydrogen addition also decreased ignition delay times by nearly 90%, while NH 3 fuel addition made no noticeable difference in ignition time. NG/NH 3 exhibited similar chemistry to pure NG under the same conditions, which is shown in a sensitivity analysis. Here, the reaction CH 3 + O 2 = CH 3 O + O is identified and suggested as a possible modification target to improve model performance. Increasing the robustness of chemical kinetic models via experimental validation will directly aid in designing next-generation combustion chambers for use in gas turbines, which in turn will greatly lower global emissions and reduce greenhouse effects.
33 ADVANCED PROPULSION SYSTEMS↗
Data assimilation for combustion ignition delay time simulation using schlieren image velocimetry
This study sought to improve the accuracy of simulating spray penetration and combustion ignition delay by means of data assimilation (DA). The simulations were conducted using the Reynolds-averaged Navier–Stokes (RANS) equations and assimilating the schlieren image data. In DA, an ensemble square root filter (EnSRF) was used to build the statistical model, making the simulation results more accurate without any change in the governing equations. Recognizing that the spray-cone injection angle has a large effect on penetration, we created ensemble members with different injection angles. And we applied the two-component velocity distribution calculated via SIV and updated both velocity and temperature by using a DA statistical model derived from RANS ensemble simulations. The ignition delay time is generally known to vary even under the same experimental conditions because it is influenced by many factors. In this study, we attempted the transient DA-assisted RANS simulation to predict the ignition delay time even when the temporal resolution and accuracy of the observation data ware insufficient. Our trials offer an example of how a combination of techniques can be effectively used to assimilate experimental data obtained under restricted conditions.
Combustion simulation↗
Experimental Ignition Delay Time Measurements and Chemical Kinetics Modeling of Hydrogen/Ammonia/Natural Gas Fuels
In recent years, hydrogen-carrying compounds have accrued interest as an alternative to traditional fossil fuels due to their function as zero-emission fuels. As such, there is interest in investigating hydrogen-carrying compounds to improve understanding of the fuels' characteristics for use in high pressure systems. In the current study, the oxidation of ammonia/natural gas/hydrogen mixtures was carried out to study carbon monoxide (CO) formation profiles as well as the ignition delay times (IDTs) behind reflected shock waves in order to refine chemical kinetic models. Experiments were carried out in the University of Central Florida's shock tube facility by utilizing chemiluminescence to obtain OH* emission and laser absorption spectroscopy to obtain CO profiles over a temperature range between 1200 K and 1800 K with an average pressure of 2.2 atm. Experimental mixtures included both neat and combination natural gas/hydrogen with ammonia addition, with all mixtures except one having an equivalence ratio of 1. Results were then compared with the GRI 3.0 mechanism, as well as the newly developed UCF 2022 mechanism utilizing chemkin-pro software. In general, both models were able to capture the trend in auto-ignition delay times and CO time histories for natural gas and ammonia mixtures. However, for ammonia–hydrogen mixtures, GRI 3.0 failed to predict ignition delay times, whereas the UCF 2022 mechanism was able to capture the IDTs within the uncertainty limits of the experiments. A sensitivity analysis was conducted for different mixtures to understand the important reactions at the experimental conditions. Lastly, a reaction pathway analysis was carried out to understand important ammonia decomposition pathways in the presence of hydrogen and natural gas.
33 ADVANCED PROPULSION SYSTEMS↗
Ignition delay times of benzene and toluene with oxygen in argon mixtures
The ignition delay times of benzene and toluene with oxygen diluted in argon were investigated over a wide range of conditions. For benzene the concentration ranges were 0.42 to 1.69 percent fuel and 3.78 to 20.3 percent oxygen. The temperature range was 1212 to 1748 K and the reflected shock pressures were 1.7 to 7.89 atm. Statistical evaluation of the benzene experiments provided an overall equation which is given. For toluene the concentration ranges were 0.5 to 1.5 percent fuel and 4.48 to 13.45 percent oxygen. The temperature range was 1339 to 1797 K and the reflected shock pressures were 1.95 to 8.85 atm. The overall ignition delay equation for toluene after a statistical evaluation is also given. Detailed experimental information is provided.
Burcat, A.↗
Enhancing $\phi$-sensitivity of ignition delay times through dilution of fuel-air mixture
The high $\phi$-sensitivity (η) of ignition delay time (τ IDT ) is one of the desirable fuel properties for the high-load extension of advanced compression ignition engine. Recent studies revealed the effectiveness of a high dilution rate (x D ) for enhancing η at the engine-relevant conditions. This study aims to quantify the effect of dilution on the η of isooctane using a combined experiment-simulation approach. The ignition delay of the isooctane/air mixture was measured with an Advanced Fuel Ignition Delay Analyzer (AFIDA) over the temperature range of 623 - 923 K at 10 bar pressure with global $\phi$ = 0.3 - 0.6, with and without 28.6% of additional N 2 dilution. For precise evaluation of experimental η, the facility effect of the AFIDA experiment was characterized with three-dimensional computational fluid dynamics (3-D CFD) simulation. The temperature in the combustion chamber from 3-D CFD indicated a substantial temporal dependency, varying up to ~52 K by charge-cooling of fuel injection and heat transfer from the wall. We introduced the dimensionless number θ(t) for characterizing the temporal profile of chamber temperature. Consideration of the facility effect using θ(t) resulted in better agreement between the experimental ..eta.. and zero-dimensional (0-D) kinetics simulation. The refined η were then further utilized to quantify the effectiveness of dilution to η The extent of η enhancement with dilution strategy was maximized at the low-temperature chemistry regime, increasing η by 77% with a 28.6% dilution rate. Further analysis on the dilution effect was carried out using 0-D kinetics simulation, revealing the critical dimensionless numbers relevant to the effectiveness of dilution to η enhancement. Here, this study is the first experiment-simulation combined research to quantify the effect of dilution on η, facilitating the kinetics model refinement for better reproduction of $\phi$-sensitivity.
33 ADVANCED PROPULSION SYSTEMS↗
Methane oxidation behind reflected shock waves: Ignition delay times measured by pressure and flame band emission
Ignition delay data were recorded for three methane-oxygen-argon mixtures (phi = 0.5, 1.0, 2.0) for the temperature range 1500 to 1920 K. Quiet pressure trances enabled us to obtain delay times for the start of the experimental pressure rise. These times were in good agreement with those obtained from the flame band emission at 3700 A. The data correlated well with the oxygen and methane dependence of Lifshitz, but showed a much stronger temperature dependence (phi = 0.5 delta E = 51.9, phi = 1.0 delta = 58.8, phi = 2.0 delta E = 58.7 Kcal). The effect of probe location on the delay time measurement was studied. It appears that the probe located 83 mm from the reflecting surface measured delay times which may not be related to the initial temperature and pressure. It was estimated that for a probe located 7 mm from the reflecting surface, the measured delay time would be about 10 microseconds too short, and it was suggested that delay times less than 100 microsecond should not be used. The ignition period was defined as the time interval between start of the experimental pressure rise and 50 percent of the ignition pressure. This time interval was measured for three gas mixtures and found to be similar (40 to 60 micro sec) for phi = 1.0 and 0.5 but much longer (100 to 120) microsecond for phi = 2.0. It was suggested that the ignition period would be very useful to the kinetic modeler in judging the agreement between experimental and calculated delay times.
Brabbs, T. A.↗
Effect of additives on the ignition delay time of hypergolic propellants.
Additives effect on ignition delay and pressure of hypergolic hydrazine-nitrogen tetroxide propellant systems.
TIME DELAY↗
Ignition delay times of cyclopentene oxygen argon mixtures
The oxidation of cyclopentene was studied experimentally to expand the database on pyrolysis and the reaction products of five carbon unsaturated ring compounds. Pyrolysis was carried out in a single-pulse shock tube. Data were gathered on the shock speed, wall pressure, and reflected shock temperatures. Four different mixtures of C5H8, O2 and Ar, ranging from 0.25-1 percent cyclopentene and 1.75-7 percent O2, were examined in 76 different trials. The data showed a shock temperature range of 1323-1816 K and a pressure range of 1.67-7.36 atmospheres. A student-t test analysis of the results led to definition of an ignition delay equation accurate to the 2-sigma level.
Burcat, A.↗
High-Fuel Loading Ignition Delay Time Characterization of Hydrogen/Natural Gas/Ammonia at Gas Turbine-Relevant Conditions Inside a High-Pressure Shock Tube
Abstract This study explores the combustion characterization of high-fuel percentage, air-diluted mixtures of H2 mixed with natural gas (NG) as well as mixtures of H2 and NH3 at temperatures and pressures relevant to turbine operating conditions (20–30 bar, 1000–1500 K). Lower temperatures (below 1070 K) exhibit preignition characteristics due to non-homogeneity. An attempt to mitigate these occurrences at high pressures is investigated using the constrained reaction volume (CRV) stage-filling technique. Due to the need to further refine the facility CRV stage-filling uncertainty, only higher temperature data will be interpreted at this time. The test conditions in this study closely replicate the temperatures, pressures, and mixtures that would be seen in hydrogen-powered gas turbines, making it the first to explore such conditions. The experimental IDTs were compared against the current state-of-the-art chemical kinetic models for mechanism validation. The current work will advance H2-powered turbines and aims to determine the optimum molecular ratio of H2 when mixed with natural gas.
Pierro, Michael↗
Misr: Miniature Ignition Screening Rapid Compression Machine for Kinetic Measurements of Novel Fuels (Final Report)
High throughput ignition screening would be useful for evaluating fuels before scaled production. One method for doing this involves generating a map of ignition delay times over different conditions for each fuel blend. Constant condition ignition delay time maps can be used to estimate ignition for engines in prescribed thermodynamic trajectories. A Miniaturized Ignition Screening Rapid Compression Machine (MISR) has been developed and built at the University of Illinois Chicago (UIC) intending to generate those constant condition ignition delay time maps for low temperature chemistry relevant conditions. Some design features include a bellows-actuated driver section, which is lighter compared to other RCM designs, an adjustable brake section, and full optical access. The setup was designed to achieve reaction conditions (T > 600K and P < 100 bar with repetition rates of about 8 seconds per experiment). These conditions were meant to be relevant to low-to-intermediate temperature auto-ignition and for generation of data for developing relevant chemical kinetics models or ignition maps. Because of the compression characteristics and the heat loss characteristics of the MISR, the apparatus currently tests higher temperatures over shorter test times than what would be desirable, however there are some pathways to improved compression characteristics as detailed in this report. A detailed description of the MISR design and its operating mechanism is discussed. The team faced several challenges and setbacks in the construction and commissioning of the MISR, and those are highlighted, along with the modifications that were performed to get the MISR operational. To demonstrate the performance characteristics of the MISR, limited ignition delay experiments were conducted for ethanol fuel at different equivalence ratios (Φ), and those results were usable, but again test a higher temperature and shorter ignition delay time than initially intended.
02 PETROLEUM↗
Shock Tube and Flame Speed Measurements of 2,4,4-Trimethyl-1-Pentene: A Co-Optima Biofuel
Abstract The combustion of 2,4,4-trimethyl-1-pentene (diisobutylene, C8H16), which is a biofuel and a component of surrogate fuels, is examined in this work. Carbon monoxide time–histories and ignition delay times are collected behind reflected shock waves utilizing a shock tube and mid-infrared laser absorption spectroscopy. Measurements were obtained near 10 atm pressure during stoichiometric oxidation of 0.15%C8H16/O2/Ar. Simulated results from chemical kinetic models are provided, and sensitivity analyses are used to discuss differences between models for both ignition delay times and carbon monoxide formation. In addition, laminar burning speeds are obtained at 1 atm, 428 K, and equivalence ratios, phi, between 0.91 and 1.52 inside a spherical chamber facility. Measured burning speeds are found to be less than that of ethanol over the equivalence ratio span. Burning speed measurements are compared to predictions of chemical kinetic mechanisms and are in agreement for the richest conditions; however, at lean conditions, the model predicts a far slower-burning speed. The maximum burning speed occurs at an equivalence ratio of 1.08 with a magnitude of 0.70 m/s. The current work provides the crucial experimental data needed for assessing the feasibility of this biofuel and for the development of future combustion chemical kinetics models.
Energy & Fuels↗
Ignition Delay of Combustible Materials in Normoxic Equivalent Environments
Material flammability is an important factor in determining the pressure and composition (fraction of oxygen and nitrogen) of the atmosphere in the habitable volume of exploration vehicles and habitats. The method chosen in this work to quantify the flammability of a material is by its ease of ignition. The ignition delay time was defined as the time it takes a combustible material to ignite after it has been exposed to an external heat flux. Previous work in the Forced Ignition and Spread Test (FIST) apparatus has shown that the ignition delay in the currently proposed space exploration atmosphere (approximately 58.6 kPa and32% oxygen concentration) is reduced by 27% compared to the standard atmosphere used in the Space Shuttle and Space Station. In order to determine whether there is a safer environment in terms of material flammability, a series of piloted ignition delay tests using polymethylmethacrylate (PMMA) was conducted in the FIST apparatus to extend the work over a range of possible exploration atmospheres. The exploration atmospheres considered were the normoxic equivalents, i.e. reduced pressure conditions with a constant partial pressure of oxygen. The ignition delay time was seen to decrease as the pressure was reduced along the normoxic curve. The minimum ignition delay observed in the normoxic equivalent environments was nearly 30% lower than in standard atmospheric conditions. The ignition delay in the proposed exploration atmosphere is only slightly larger than this minimum. Interms of material flammability, normoxic environments with a higher pressure relative to the proposed pressure would be desired.
Ignition delay time↗
Theoretical kinetic computations in complex reacting systems
Nasa Lewis' studies of complex reacting systems at high temperature are discussed. The changes which occur are the result of many different chemical reactions occurring at the same time. Both an experimental and a theoretical approach are needed to fully understand what happens in these systems. The latter approach is discussed. The differential equations which describe the chemical and thermodynamic changes are given. Their solution by numerical techniques using a detailed chemical mechanism is described. Several different comparisons of computed results with experimental measurements are also given. These include the computation of (1) species concentration profiles in batch and flow reactions, (2) rocket performance in nozzle expansions, and (3) pressure versus time profiles in hydrocarbon ignition processes. The examples illustrate the use of detailed kinetic computations to elucidate a chemical mechanism and to compute practical quantities such as rocket performance, ignition delay times, and ignition lengths in flow processes.
Bittker, David A.↗