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Results for “ENTHALPY”

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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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Investigation Flow Uniformity in a Supersonic Duct with High Enthalpy Flows

Flow uniformity in a high enthalpy facility is investigated. The scramjet research facility is composed of a rectangular combustor duct connected to a 100 MW electric arc air heater. The Mach 3.3 flow is accelerated through a two-dimensional contoured nozzle. Instream measurements were made with water-cooled Pitot probes and stagnation point heat flux gages at stream enthalpy levels ranging from 4 to 7 Mj/kg. Flow surveys were made on the flow centerline and off centerline in order to measure the three dimensional uniformity of the flow in the rectangular duct. Measurements indicated that although the flow in the aspect ratio 6:1 duct was relatively uniform on the centerline, three dimensional viscous effects were apparent near the corners. Flow through the nozzle and constant area duct was modeled computationally using a two dimensional, Navier-Stokes, reacting gas code. The computations predict that the flow in the test section is in vibrational equilibrium. The computed and measured Pitot pressure and heat flux profiles are in reasonable agreement with the experimental data.

Balboni, John↗
NASA NTRS2019

Effects of Wall Cooling on Supersonic Modes in High-Enthalpy Hypersonic Boundary Layers over a Cone

High-enthalpy hypersonic boundary-layer transition plays an important role in many entry/descent vehicles. Aerothermodynamic performance of these vehicles strongly depends on the transition location on the surface. However, detailed transition flow physics in these chemically reacting boundary layers are poorly understood and transition estimates during the design phase rely heavily on empirically-derived transition criteria such as 𝑹𝒆(𝜽)/𝑴(𝒆). One of the most intriguing characteristics in hypersonic boundary layers is the presence of unstable supersonic modes, first identified in the 1990s. Due to a recent surge in hypersonic applications, there has been renewed interest in studying the flow physics of supersonic modes using either theory or direct numerical simulations. This paper investigates the rise of supersonic modes in a high-enthalpy hypersonic flow over a 𝟓° half-angle cone at various wall temperatures using both quasiparallel linear stability theory and linear PSE. It was found that supersonic modes exist in all wall temperature conditions including the adiabatic wall case. Cooler wall temperature causes the second Mack mode to become an unstable supersonic mode naturally downstream of the upper-branch neutral location when the wall is sufficiently cooled. In terms of the integrated growth, the second mode is still the dominant mode. Nonetheless, supersonic modes can cause additional series of relatively weaker growth than that of the second mode beyond the peak amplitude location. According to the present linear PSE results, contrary to what was speculated in the literature, supersonic-mode pressure disturbance structure radiated into the freestream is nonacoustic in nature and the formation of unstable supersonic modes is mainly associated with the synchronization of phase speed between the instability and acoustic waves in a nonp ayer, not due to nonlinear modal interaction as suggested in the literature.

Chang, Chau-Lyan↗
DOE OSTI2021

Systems, methods and tools for subterranean electrochemical characterization and enthalpy measurement in geothermal reservoirs

The present disclosure is directed to systems, methods and tools that measure ionic concentrations and downhole enthalpy of a flowing geothermal fluid in real-time at high-temperature and pressure. The systems, methods and tools include measuring the concentration of selected naturally occurring ions found in the liquid phase of the geothermal fluid throughout the wellbore using novel electrochemical sensor technologies. The change in liquid-phase ion concentration will be used to calculate the proportion of liquid to steam and allow for accurate enthalpy measurements. The techniques and technologies described here can be applied to any application of electrochemical sensing in extreme environments.

Cieslewski, Grzegorz↗
DOE OSTI2023

Formation enthalpies of Al–Mn–Pd and the structure of the i-AlMnPd quasicrystal

Abstract This paper reports formation enthalpies of phases in the Al–Mn–Pd ternary alloy system as calculated from first principles using electronic density functional theory. We consider all crystal structures as reported in the assessed phase diagrams of the ternary and its binary alloy subsystems (Al–Mn, Al–Pd, and Mn–Pd), as well as additional reported or hypothetical structures. Icosahedral and decagonal quasicrystalline approximants are among the structures that we predict to be stable, or nearly so. Our results suggest the need for careful experimental reexamination of phase stability in each of the alloy systems, in tandem with further efforts to refine crystallographic and ab-initio structures.

17 WIND ENERGY↗
DOE OSTI2024

Active Thermochemical Tables: Should the enthalpy of formation of gas phase boron atom be revised?

The Active Thermochemical Tables approach produces the enthalpy of formation of gas phase boron atom: Δ f H° 298 (B (g) ) = 570.48±0.61 kJ/mol and Δ f H° 0 (B (g) ) = 565.38±0.61 kJ/mol. This is about 5 kJ/mol higher and nearly an order of magnitude more accurate than the CODATA value. Here, while the ATcT value is in excellent agreement with the revisions proposed by Bauschlicher, Martin, and Taylor [J. Phys. Chem. A 103 (1999) 7715] and by Karton and Martin [J. Phys. Chem. A 111 (2007) 5936], it invalidates several earlier theoretical revisions that are too high by up to 5 kJ/mol.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

Bond dissociation enthalpies (BDEs) of organic molecules play a fundamental role in determining chemical reactivity and selectivity. However, BDE computations at sufficiently high levels of quantum mechanical theory require substantial computing resources. In this paper, we develop a machine learning model capable of accurately predicting BDEs for organic molecules in a fraction of a second. We perform automated density functional theory (DFT) calculations at the M06-2X/def2-TZVP level of theory for 42,577 small organic molecules, resulting in 290,664 BDEs. A graph neural network trained on a subset of these results achieves a mean absolute error of 0.58 kcal mol-1 (vs DFT) for BDEs of unseen molecules. We further demonstrate the model on two applications: first, we rapidly and accurately predict major sites of hydrogen abstraction in the metabolism of drug-like molecules, and second, we determine the dominant molecular fragmentation pathways during soot formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗