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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Predictions of instantaneous temperature fields in jet-in-hot-coflow flames using a multi-scale U-Net model
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Mechanism and kinetics of the oxidation of propargyl radical by atomic oxygen
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Effect of confinement on the propagation patterns of lean hydrogen–air flames
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Repetitive autoignition and extinction instability of non-premixed n-dodecane spray cool flames
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Quantifying the effect of difluoromethane on ignition delay times of propane
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Capturing differential diffusion effects in large eddy simulation of turbulent premixed flames
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Measuring methane destruction efficiency in gas flares with dual comb spectroscopy
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The interaction between soot, thermal gradients, and dissipation rate in turbulent non-premixed jet flames
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Meeting the moment: Reducing methane emissions and the need for better diagnostics
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Dimethoxymethane low- and intermediate-temperature oxidation up to 100 atm
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Evaluation of high-pressure syngas ignition under high-CO2 dilution in shock tubes
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Sooting tendencies: Combustion science for designing sustainable fuels with improved properties
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Implementation of new mixture rules has a substantial impact on combustion predictions for H 2 and NH 3
Complex-forming reactions comprise a substantial fraction of all important combustion reactions and are central to combustion behavior. Despite being often called “pressure-dependent” reactions, their rate constants depend on not only the pressure but also the composition. While modern combustion codes allow arbitrarily high accuracy in treating pressure dependence, recent work has consistently demonstrated dramatic failures of essentially all available treatments of mixture dependence. In situations where mixture dependence is treated at all, it is inevitably treated through specification of pressure-dependent rate constants for a set of pure bath gases, which are then combined to estimate the rate constant in a mixture via a “mixture rule.” While there had been a generally unquestioning confidence in these mixture rules, they had, in reality, been scarcely tested until the last decade, when comparisons against master equation calculations revealed order-of-magnitude errors for important pressure-dependent reactions. New mixture rules, based on the reduced pressure, have recently been proposed and shown to reproduce master equation calculations for broad classes of complex-forming reactions very accurately. Here, in this work, we present an implementation of one such new mixture rule (“LMR-R”) in Cantera and then use it to enable simulations that use new high-accuracy ab initio data for individual bath gases (for the first time, since codes previously could not accommodate the complex bath gas dependence). Demonstrations focus on combustion of H 2 and NH 3 , where (1) high-accuracy ab initio data are available and (2) the impact is expected to be large due to the high fractions of efficient colliders (e.g., H 2 O and NH 3 ) in the burned and unburned gases. Indeed, we find the impact of this treatment to be substantial and may explain previous modeling difficulties for these important carbon-free fuels, particularly for NH 3 , whose extraordinarily high third-body efficiency (~20) is often omitted from kinetic models.