22 Search Results

In contrast to the adage “Models are to be used, not believed”, combustion kinetics models have been intended to be predictive in nature. Theoretical chemical kinetics is now understood to provide a firm foundation for the reaction parameters, thereby facilitating predictive simulations of chemical reactivity, even in regimes that are poorly characterized by chemical kinetic and/or combustion experiments. In this study, we describe a theory-informed kinetics model (ThInK) for small molecule combustion chemistry (H₂ and C₁ – C₃ species) that is based on the prodigious use of theoretical predictions for reaction rate coefficients, thermochemistry, and transport parameters. The distinct featuresmore » of this kinetics model, which was developed over the course of several decades, are illustrated through simulations of flame propagation and auto-ignition.« less

The present work investigates relations between fuel Reid vapor pressure (RVP) and biofuel (ethanol) content on stochastic preignition (SPI) at both sustained steady-state engine operation and following load transients. This work stems from in-field observations that automotive original equipment manufacturers have observed consistent seasonal increases in United States customer drivability complaints and warranty claims during September and October where SPI is suspected to be responsible. The seasonal timing of these events coincides with the United States seasonal fuel property changeover initiating on September 15 each year, where fuel RVP increases. To explore potential linkage between fuel RVP and SPI themore » present study employs engine SPI experiments coupled with laboratory spray measurements of fuels with RVPs of 8, 12, and 16 psi in both E10 (10% ethanol) and E25 (25% ethanol) fuels. Engine results are partitioned into fuel RVP and ethanol content effects on SPI in steady-state, sustained high-load engine operation and unsteady-state low- to high-load transitions, where off-engine spray vessel patternation and tip penetration results help to elucidate the observed fuel effects on SPI. A boosted direct-injected, spark-ignition engine was fueled with three market relevant E10 and E25 fuels with RVPs of 8, 12, and 16 to characterize the interplay between winter fuels and abnormal combustion behavior. The steady-state work shows that for high-load, steady-state engine operation, SPI is directly linked to fuel retention, which was found to be dependent on fuel distillation. The unsteady-state engine operation work shows that following low-to high-load transitions, SPI can occur from a memory of fuel property effects at low-load operation. Specifically, the fuel RVP effect on fuel spray collapse at low loads was found to correlate with SPI with a more than 95% confidence interval following low- to high-engine-load transitions. Results suggest that fuel-wall impingement at low-load operation could carry over into high-load transitions and generate SPI events following low- to high-load transitions.« less

The effects of trimethylsilanol (TMSO) and hexamethyldisiloxane (HMDSO) addition on OH time histories during syngas (H₂ and CO) ignition were investigated using the University of Michigan rapid compression facility. Experiments spanned temperatures of 1010–1080 K, at a pressure of approximately 5 atm. Syngas mixtures of 1.2 % H₂/2.8 % CO/20 % O₂ by volume (balance N₂ and Ar) provided a baseline for comparison with mixtures that included 100, 200, and 1000 ppm of the TMSO and 100 ppm of HMDSO. Narrow-line ultraviolet laser-absorption was used to measure OH mole-fraction during ignition. The addition of TMSO and HMDSO significantly shifted themore » OH time-histories earlier in time, by up to 51 %, compared with the baseline syngas mixture. The value of the maximum OH mole fraction was consistent between the 100 and 200 ppm TMSO mixtures and the 100 ppm HMDSO mixtures, but the maximum OH increased significantly with the 1000 ppm TMSO mixtures. Here, the OH data indicate TMSO and HMDSO were not direct sources of OH radicals. Analysis further indicates the TMSO and HMDSO decompose rapidly followed by reactions that enhance the production of H atoms, and the increased reactivity observed is via the H + O₂ = OH + O reaction.« less

The drop weight impact experiment is used routinely to provide an initial screening of the handling sensitivity of new explosives. Despite the ubiquity and simplicity of the drop weight impact test, the physical mechanisms responsible for generating temperatures sufficiently high for the initiation of explosive reactions are not well understood. Preliminary work has shown that temperatures sufficient for ignition are in theory achievable in steady-state Poiseuille flow at the flow velocities observed experimentally with temperature-dependent shear viscosities. However, it is far from certain that such steady-state flow conditions can be achieved in the drop weight impact test because of itsmore » short duration. Therefore, here we study heat generation both experimentally and numerically to quantify the temperature distributions in molten pentaerythritol tetranitrate (PETN). Drop weight experiments have been performed starting with PETN that has been melted on a transparent anvil. The experimental results are consistent with our finite element calculations that indicate that the temperature does not approach the level needed for ignition on the time scales of the experiment. Interestingly, ignition regularly occurs in solid samples under the same conditions, so we discuss the phenomenology of ignition of both solid and molten PETN in the drop weight test and provide constraints to numerical simulations.« less

In this study, an acid-base precipitation reaction is detailed to synthesize pure crystals of the oxidizer rich compound [Al(H₂O)₆](IO₃)₃(HIO₃)₂ and described here for the first time. The molecule is called aluminum iodate hexahydrate (AIH) and characterized for its energetic potential as an oxidizer in propellant applications. The synthesis method produced bipyramidal hexagonal crystals that are characterized physically and chemically by microscopy, pycnometry, and X-ray crystallography. Further energetic characterization is performed by bomb calorimetry, and impact, friction, and electrostatic discharge ignition sensitivity. This study introduces the potential of AIH as an alternative solid propellant by comparison to the properties of ammoniummore » perchlorate (AP) and ammonium nitrate (AN).« less

The ignition threshold of an energetic material (EM) quantifies the macroscopic conditions for the onset of self-sustaining chemical reactions. The threshold is an important theoretical and practical measure of material attributes that relate to safety and reliability. Historically, the thresholds are measured experimentally. In this work, we present a new Lagrangian computational framework for establishing the probabilistic ignition thresholds of heterogeneous EM out of the evolutions of coupled mechanical-thermal-chemical processes using mesoscale simulations. Furthermore, the simulations explicitly account for microstructural heterogeneities, constituent properties, and interfacial processes and capture processes responsible for the development of material damage and the formation ofmore » hotspots in which chemical reactions initiate. The specific mechanisms tracked include viscoelasticity, viscoplasticity, fracture, post-fracture contact, frictional heating, heat conduction, reactive chemical heating, gaseous product generation, and convective heat transfer. To determine the ignition threshold, the minimum macroscopic loading required to achieve self-sustaining chemical reactions with a rate of reactive heat generation exceeding the rate of heat loss due to conduction and other dissipative mechanisms is determined. Probabilistic quantification of the processes and the thresholds are obtained via the use of statistically equivalent microstructure sample sets (SEMSS). The predictions are in agreement with available experimental data.« less

Converting and using the National Ignition Facility (NIF) to deliver 527 nm light instead of its current 351 nm would allow the laser to deliver more energy and power to ignition targets. We update previous 527 nm target design work to reflect more contemporary target designs using high-density carbon capsules and low density helium gas filled Hohlraums. We extend single shell capsule designs based on current experimental results to higher energy and power and also explore double shell capsules, both driven by green light. These studies were completed using detailed pulse shapes found for targets that converged with acceptable 2Dmore » implosion symmetries and then used the Lava Lamp II code to confirm their feasibility at NIF. A 1.2× dimensional scaleup of one tuned NIF target at the limit of its current 351 nm capabilities and shot 170827 uses 3.3 MJ, at the limit of the current NIF's 527 nm capability. With the less-structured pulse of a double shell target, 3.7 MJ could be delivered by the laser. Our LPI calculations do not preclude operation at 527 nm, particularly for low fill Hohlraums, and suggest that the stimulated Raman backscatter may be no worse than the small quantities seen in 170827; stimulated forward Raman scattering may be present. If Stimulated Brillouin Scattering is too great, the much greater laser bandwidth available at 527 nm could be used to decrease backscatter. These larger targets with higher energy and power may offer a better chance of achieving ignition with only modest changes to the NIF laser.« less

High energy gain in inertial fusion schemes requires the propagation of a thermonuclear burn wave from hot to cold fuel. We consider the problem of burn propagation when a magnetic field is orthogonal to the burn wave. Using an extended-MHD model with a magnetized α energy transport equation, we find that the magnetic field can reduce the rate of burn propagation by suppressing electron thermal conduction and α particle flux. Magnetic field transport during burn propagation is subject to competing effects: the field can be advected from cold to hot regions by ablation of cold fuel, while the Nernst andmore » α particle flux effects transport the field from hot to cold fuel. These effects, combined with the temperature increase due to burn, can cause the electron Hall parameter to grow rapidly at the burn front. This results in the formation of a self-insulating layer between hot and cold fuel, which reduces electron thermal conductivity and α transport, increases the temperature gradient, and reduces the rate of burn propagation.« less

Near peak compression, inertial confinement fusion implosions release both deuterium–tritium (DT) fusion gamma rays and neutron induced gamma rays from carbon from the areal density of the remaining ablator shell. The gamma reaction history diagnostic makes a time resolved measurement of both. Across many recent implosions, the carbon gamma ray peak arrives systematically 11 ± 10 ps later compared to DT fusion burn. The timing shift is consistent with the carbon areal density increasing throughout the peak of the fusion burn, implying that the carbon portion of the capsule continues to converge. A model finds that the observed timing shiftmore » is consistent with a 4π averaged carbon ablator inward velocity of 80 μm/ns for the contemporary National Ignition Facility implosions. In this work, the timing shift is possibly related to the energy balance of the implosion, with the expectation that a high performing, igniting capsule would see the carbon gamma rays arrive before the DT fusion peak.« less

A Lawson-like criterion for ignition (where self-heating dominates over all energy losses) in a dynamic implosion is developed, which accounts for asymmetry and for differences in an implosion x-ray confinement quality. It is shown that the thermodynamic ignition condition is equivalent to yield amplification levels of 16–32. Since negative pdV work of expansion after stagnation increases energy losses above that of x-ray and electron-conduction losses, the Lawson-like ignition criterion is necessary but not sufficient for igniting the hot spot to propagate into the DT fuel with sufficient vigor to generate high gain. Additionally, a higher dimensional generalization of the Lawson-likemore » criterion, which includes the cooling of the implosion upon disassembly, does provide the needed criteria, and it shows that significantly higher temperature is needed for very high levels of yield amplification compared to what traditional ignition metrics imply.« less