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Results for “thermochemical nonequilibrium”

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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Upgrade of PARC2D to include real gas effects

This paper presents a description of the changes and additions to the perfect gas PARC2D code to include chemical equilibrium effects, resulting in a code called PARCEQ2D. The work developed out of a need to have the capability of more accurately representing the flowfield surrounding the aeroassist flight experiment (AFE) vehicle. Use is made of the partition function of statistical mechanics in the evaluation of the thermochemical properties. This approach will allow the PARC code to be extended to thermal nonequilibrium when this task is undertaken in the future. The transport properties follow from formulae from the kinetic theory of gases. Results are presented for a two-dimensional AFE that compare perfect gas and real gas solutions at flight conditions, showing vast differences between the two cases.

Saladino, Anthony↗
NASA NTRS1975

The NATA code: Theory and analysis, volume 1

A computer program for calculating quasi-one-dimensional gas flow in axisymmetric and two-dimensional nozzles and rectangular channels is presented. Flow is assumed to start from a state of thermochemical equilibrium at a high temperature in an upstream reservoir. The program provides solutions based on frozen chemistry, chemical equilibrium, and nonequilibrium flow with finite reaction rates. Electronic nonequilibrium effects can be included using a two-temperature model. An approximate laminar boundary layer calculation is given for the shear and heat flux on the nozzle wall. Boundary layer displacement effects on the inviscid flow are considered also. Chemical equilibrium and transport property calculations are provided by subroutines. The code contains precoded thermochemical, chemical kinetic, and transport cross section data for high-temperature air, CO2-N2-Ar mixtures, helium, and argon. It provides calculations of the stagnation conditions on axisymmetric or two-dimensional models, and of the conditions on the flat surface of a blunt wedge. The primary purpose of the code is to describe the flow conditions and test conditions in electric arc heated wind tunnels.

Bade, W. L.↗
DOE OSTI2022

High-Speed Diagnostic and Simulation Capabilities for Reacting Hypersonic Reentry Flows (LDRD Final Report)

High-enthalpy hypersonic flight represents an application space of significant concern within the current national-security landscape. The hypersonic environment is characterized by high-speed compressible fluid mechanics and complex reacting flow physics, which may present both thermal and chemical nonequilibrium effects. We report on the results of a three-year LDRD effort, funded by the Engineering Sciences Research Foundation (ESRF) investment area, which has been focused on the development and deployment of new high-speed thermochemical diagnostics capabilities for measurements in the high-enthalpy hypersonic environment posed by Sandia's free-piston shock tunnel. The project has additionally sponsored model development efforts, which have added thermal nonequilibrium modeling capabilities to Sandia codes for subsequent design of many of our shock-tunnel experiments. We have cultivated high-speed, chemically specific, laser-diagnostic approaches that are uniquely co-located with Sandia's high-enthalpy hypersonic test facilities. These tools include picosecond and nanosecond coherent anti-Stokes Raman scattering at 100-kHz rates for time-resolved thermometry, including thermal nonequilibrium conditions, and 100-kHz planar laser-induced fluorescence of nitric oxide for chemically specific imaging and velocimetry. Key results from this LDRD project have been documented in a number of journal submissions and conference proceedings, which are cited here. The body of this report is, therefore, concise and summarizes the key results of the project. The reader is directed toward these reference materials and appendices for more detailed discussions of the project results and findings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Aeroassisted-vehicle design studies for a manned Mars mission

An aerobrake design that has matured over several years of development accounting for all of the important flow phenomenology which are characteristic of aerobraking vehicles is proposed as the mission baseline. Flight regimes and aerothermal environments for both Mars and Earth entry are calculated using advanced methods to account for real-gas, thermochemical, relaxation effects. The results are correlated with thermal-protection and structural requirements and mission performance capability. The importance of nonequilibrium radiative heating for Earth aerocapture is demonstrated. It is suggested that two aerobrakes of different sizes will produce optimal performance for the three phases of the mission (i.e., one aerobrake for Mars aerocapture and descent of the surface lander and another for Earth return).

Menees, Gene P.↗
NASA NTRS1987

Aeroassisted-vehicle design studies for a manned Mars mission

An aerobrake design accounting for all of the important flow phenomenology which are characteristic of aerobraking vehicles is proposed as the mission baseline. Flight regimes and aerothermal environments for both Mars and earth entry are calculated using advanced methods to account for real-gas, thermochemical, relaxation effects. The results are correlated with thermal-protection and structural requirements and mission performance capability. The importance of nonequilibrium radiative heating for earth aerocapture is demonstrated. It is suggested that two aerobrakes of different sizes will produce optimal performance for the three phases of the mission (i.e., one aerobrake for Mars aerocapture and descent of the surface lander and another for earth return).

Menees, Gene P.↗
NASA NTRS1997

Analysis of Emission Spectra from Arc-jet Shock Layer Flows

This paper reports computational comparisons with experimental studies of a nonequilibrium blunt body shock layer in a high enthalpy arc-jet wind tunnel at NASA Ames Research Center. The primary objective of this work is to investigate the existence of a thermochemical equilibrium region in the shock layer. The existence of such an equilibrium region is of interest for following reasons: (1) to understand the equilibration process behind the shock in an arc-jet flow environment; (2) to interpret measured surface heat transfer data for purpose of determining surface catalytic efficiency, and (3) to determine the total enthalpy from the spectroscopic measurements. The paper will present an analysis of the experimental data obtained in the arc-jet wind tunnel. Experimental data includes measurements of emission spectra of radiation emanating from a shock layer formed in front of a 6-inch flat-faced cylinder. The measurements, obtained using a two dimensional CCD camera mounted on a spectrograph, provide spatially resolved spectra along the stagnation streamline of the model. Computational analysis includes simulation of nonequilibrium flow in the arc-jet facility (flow in the conical nozzle and shock layer in front of a flat-faced cylinder) using 2-D/axisymmetric Navier-Stokes codes and prediction of the radiation spectra from the axisymmetric flowfield using NEQAIR radiation code. Various line-of-sight averaged flow properties such as vibrational and rotational temperatures, species number densities within the shock layer are deduced from the experimental spectra. Comparison of the computed and experimental line-of-sight averaged flow properties provides assessment of thermochemical equilibration processes in an arc-jet shock layer.

Gokcen, T.↗
NASA NTRS1985

Radiometer experiment for the aeroassist flight experiment

A forthcoming NASA flight experiment is described that provides an opportunity to obtain a large base of radiometric data for high-altitude, high-velocity thermochemically nonequilibrated-flow conditions. As a preliminary to the design of a radiometer for this experiment, an approximate method for predicting both equilibrium and nonequilibrium radiative surface fluxes is described. Spectral results for one trajectory state, a velocity of 10 km/sec at an altitude of 85 km, are presented. These results are then used to develop some of the instrument parameters that will be needed for designing of the three genre of radiometers that are proposed for this experiment.

Davy, W. C.↗
NASA NTRS1993

Simulations of a molecular plasma in collisional-radiative nonequilibrium

A code for the simulation of nonequilibrium plasmas is being developed, with the capability to couple the plasma fluid-dynamics for a single fluid with a collisional-radiative model, where electronic states are treated as separate species. The model allows for non-Boltzmann distribution of the electronic states. Deviations from the Boltzmann distributions are expected to occur in the rapidly ionizing regime behind a strong shock or in the recombining regime during a fast expansion. This additional step in modeling complexity is expected to yield more accurate predictions of the nonequilibrium state and the radiation spectrum and intensity. An attempt at extending the code to molecular plasma flows is presented. The numerical techniques used, the thermochemical model, and the results of some numerical tests are described.

Cambier, Jean-Luc↗
NASA NTRS1975

The NATA code; theory and analysis. Volume 2: User's manual

The NATA code is a computer program for calculating quasi-one-dimensional gas flow in axisymmetric nozzles and rectangular channels, primarily to describe conditions in electric archeated wind tunnels. The program provides solutions based on frozen chemistry, chemical equilibrium, and nonequilibrium flow with finite reaction rates. The shear and heat flux on the nozzle wall are calculated and boundary layer displacement effects on the inviscid flow are taken into account. The program contains compiled-in thermochemical, chemical kinetic and transport cross section data for high-temperature air, CO2-N2-Ar mixtures, helium, and argon. It calculates stagnation conditions on axisymmetric or two-dimensional models and conditions on the flat surface of a blunt wedge. Included in the report are: definitions of the inputs and outputs; precoded data on gas models, reactions, thermodynamic and transport properties of species, and nozzle geometries; explanations of diagnostic outputs and code abort conditions; test problems; and a user's manual for an auxiliary program (NOZFIT) used to set up analytical curvefits to nozzle profiles.

Bade, W. L.↗
NASA NTRS1998

Arc Jet Flow Properties Determined from Laser-Induced Fluorescence of Atomic Nitrogen

An laser-spectroscopic investigation of the thermocheMical state of arcjet flows is currently being conducted in the Aerodynamic Heating Facility (AHF) Circlet at NASA Ames Research Center. Downstream of the nozzle exit, but upstream of the test article, Laser-Induced Fluorescence (LIF) of atomic nitrogen is used to assess the nonequilibriuM distribution of flow enthalpy in the free stream. The two-photon LIF technique provides simultaneous measurements of free stream velocity, translational temperature, and nitrogen number density on the flow centerline. Along with information from facility instrumentation, these measurements allow a determination of the free stream total enthalpy, and its apportionment in to thermal, kinetic, and chemical mode contributions. Experimental results are presented and discussed for two different niti-ogen/argon test gas flow runs during which the current is varied while the pressure remains constant .

Fletcher, Douglas↗
NASA NTRS1988

The predicted abundances of deuterium-bearing gases in the atmospheres of Jupiter and Saturn

The first set of comprehensive thermochemical equilibrium and chemical kinetic calculations on the chemistry of deuterium-bearing gases in the deep atmospheres of Jupiter and Saturn is presented. The sensitivity of the results to variations in elemental and isotopic abundances is studied. Isotopic fractionation effects in the C-13/C12, N-15/N-14, and O-18/O-16 ratios in nonequilibrium species such as CO, CO2, HCN, and N2 are briefly considered.

Fegley, Bruce, Jr.↗
NASA NTRS1976

Equilibrium and nonequilibrium electron density measurements in transient shock-heated hydrogen-helium plasmas

In the NASA planetary program, atmospheric entry probe missions to Jupiter, Saturn, and Uranus are potential programs now being planned for the 1980's. The work reported in this paper is concerned with predicting the electron density, and resulting radiative emission from the shock layer which must be accommodated by the entry probe heatshield. Within the hydrogen-helium plasma surrounding the forward heatshield, there are regions of near thermochemical equilibrium whose properties are predictable - however, there are uncertainties in these electron density calculations necessitating further measurements by H-beta line broadening and holographic interferometer fringe shift as reported here. There is good agreement between the results obtained from the holographic measurements and the spectroscopic measurements which lends confidence to each of the two completely independent diagnostic techniques. The equilibrium electron density determined from the experimental measurements is somewhat higher than that predicted.

Livingston, F. R.↗
NASA NTRS1997

Investigations of Arcjet Flow Thermochemistry

An experimental and numerical investigation of the thermochemical state of arcjet flows is currently being conducted at NASA Ames Research Center. The experimental approach relies on the use of laser- and emission-spectroscopic diagnostic techniques in three regions of the flow. A fiber optic sensor is used to record spectrally resolved emission signals from the electrode package region, where the flow is most likely to be in thermochemical equilibrium. A second emission diagnostic measurement is made in the shock layer formed over a blunt-body test article placed in the stream, and a CCD camera is used to simultaneously record spectral emission from several measurement locations along the stagnation streamline. Downstream of the nozzle exit, but upstream of the test article, Laser-Induced Fluorescence (LIF) of atomic nitrogen is used to assess the nonequilibrium distribution of flow enthalpy in the free stream. Results from the measurements are compared with predictions from a two-temperature, axisymmetric flow model that solves the nozzle and shock-layer flows.

Fletcher, Douglas G.↗
DOE OSTI2023

First principles simulation of reacting hypersonic flow over a blunt wedge

This article presents molecular-level analysis of a reactive, near-continuum, Mach 21 nitrogen flow over a blunt wedge using the direct molecular simulation (DMS) method. The flow conditions lead to internal energy excitation and dissociation in the flow field, resulting in thermal and chemical nonequilibrium in the flow. Thermal nonequilibrium in the vibrational mode is observed to extend to the molecular level, where the vibrational energy distributions at various points in the flow field are observed to be non-Boltzmann. Furthermore, this is the first reactive DMS calculation where the wall is assumed to be isothermal and full momentum accommodation of the particles is enforced, hence incorporating viscous wall effects. Since the DMS method uses a quantum mechanically generated interaction potential as its only modeling input, all thermochemical and transport properties of the flow field can directly be attributed to the ab initio potential energy surface. Using the DMS solution as a benchmark, this article assesses the performance of Navier–Stokes computational fluid dynamics solutions using lower fidelity two-temperature models. Two models are chosen as points of comparison: the well-known Park two-temperature model and the recently developed modified Marrone and Treanor model.

Mechanics↗
NASA NTRS2018

Overview of Recent EAST Testing, Modeling & Analysis

Shock Layer Radiation at NASA Ames - Background: Complex aerothermal and thermochemical phenomena of planetary entry define convective and radiative heating. A spacecraft's TPS (Thermal Protective System) mitigates heat transfer to substructure. Successful TPS design relies on verifiable characterization of these phenomena in the anticipated flight environment. - Approach: EAST (Electric Arc Shock Tube) [facility at Ames] simulates high-enthalpy, real-gas phenomena encountered by hypersonic vehicles entering planetary atmospheres by spectrally imaging the flow behind a moving shock wave. - Goal: Validate aerothermal models (DPLR (Data Parallel Line Relaxation Code) and NEQAIR (Nonequilibrium Radiative Transport and Spectra Program)), inform model improvements, reduce uncertainty and quantify design uncertainties. - Recent Relevant Projects: MSL (Mars Science Laboratory) & Mars 2020, InSight, OSIRIS-REx (Origins Spectral Interpretation Resource Identification Security Regolith Explorer), Orion EFT-1 (Exploration Flight-1) and EM-1 (Exploration Mission-1) and New Frontiers.

Brandis, Aaron↗
NASA NTRS1998

Computational Analysis of Shock Layer Emission Measurements in an Arc-Jet Facility

This paper reports computational analysis of radiation emission experiments in a high enthalpy arc-jet wind tunnel at NASA Ames Research Center. Recently, as part of ongoing arc-jet characterization work, spectroscopic radiation emission experiments have been conducted at the 20 MW NASA Ames arc-jet facility. The emission measurements were obtained from the arc-jet freestream and from a shock layer formed in front of flatfaced models. Analysis of these data is expected to provide valuable information about the thermodynamic state of the gas in the arc-jet freestream and in the shock layer as well as thermochemical equilibration processes behind the shock in arc-jet flows. Knowledge of the thermodynamic state of the gas in arc-jet test flows and especially within the shock layer is essential to interpret the heat transfer measurements such as in surface catalysis experiments. The present work is a continuation of previous work and focuses on analysis of the emission data obtained at relatively low-pressure conditions for which the arc-jet shock layer is expected to be in thermal and chemical nonequilibrium. Building blocks of the present computational analysis are: (1) simulation of nonequilibrium expanding flow in the converging-diverging conical nozzle and supersonic jet; (2) simulation of nonequilibrium shock layer formed in front of the flat-faced cylinder model; and (3) prediction of line-of-sight radiation from the computed flowfield. For computations of the nonequilibrium flow in the conical nozzle and shock layer, multi-temperature nonequilibrium codes with the axisymmetric formulation are used. For computations of line-of-sight radiation. a nonequilibrium radiation code (NEQAIR) is used to predict emission spectra from the computed flowfield. Computed line-of-sight averaged flow properties such as vibrational and rotational temperatures, species number densities within the shock layer will be compared with those deduced from the experimental spectra. Detailed comparisons of computational and experimental spectra will also be presented.

Gokcen, Tahir↗
NASA NTRSDate not supplied

Shock-Layer Radiation Insights Available Through Flowfield Property Binning

This paper introduces a method for assessing similarity between available shock-layer radiation measurements and the radiative heating to a vehicle of interest. This method will be referred to as the flowfield property binning (FPB) approach. The challenge in developing this approach is that radiometer measurements from a surface normal line of sight, observed radiation measurements of the entire shock-layer from a distance, or measured shock-tube nonequilibrium profiles are notably different geometrically than the radiative flux to a vehicle surface. Therefore, the relative contributions of various regions of the shock-layer to the measurement, and how these relative contributions compare with the radiative heating to a vehicle of interest, are unclear. By tracking the radiation contribution from each flowfield location, and then grouping this contribution based on two local flowfield properties, these geometric differences are removed. This provide a two dimensional group, or bin, distribution that represents the radiation environment in the same format for various types of radiation simulations, such as observed radiation or radiative flux to a vehicle surface. In the limits of optically-thin radiation transport and thermochemical equilibrium flow, the choice of pressure and temperature as the binning flowfield properties is shown to provide a bin distribution that uniquely defines the radiation simulation. This concept is found to be sufficient for establishing similarity between two cases even when the optically-thin radiation transport and thermochemical equilibrium assumptions are not satisfied. A simple metric of comparison between bin distributions from different cases is provided by the histogram intersection algorithm. This algorithm results in a histogram intersection factor (H) between 0 and 1, which represents the fraction of the radiation that is similar between the two cases. Therefore, if H evaluated between bin distributions for two completely different radiation problems is near 1, then they represent essentially the same radiation problem. This means that they depend on the same weighting of various radiation modeling parameters evaluated at the same pressure and temperature. If one of these cases agrees well with a radiation measurement, then the matching bin distributions provide justification for applying this experimental validation to the other case. Even for H values as low as 0.2, the measurement case could be considered relevant if there are no other useful measurements. This approach allows observed radiation measurements to directly inform radiative heating simulations, which allows NASA’s past and future investments in observed radiation measurements to directly inform the radiative heating uncertainty or margins for future vehicle design. This FPB approach is also used to determine shock-tube conditions for informing backshell radiative heating simulations, where the normal shock velocity and Lagrangian time from the shock is used for the binning variables instead of pressure and temperature.

Shock Layer Radiation↗
DOE OSTI2023

Concepts Relevant for the Kinetic Analysis of Reversible Reaction Systems

The net rate of a reversible chemical reaction is the difference between unidirectional rates of traversal along forward and reverse reaction paths. In a multistep reaction sequence, the forward and reverse trajectories, in general, are not the microscopic reverse of one another; rather, each unidirectional route is comprised of distinct rate-controlling steps, intermediates, and transition states. Consequently, traditional descriptors of rate (e.g., reaction orders) do not reflect intrinsic kinetic information but instead conflate unidirectional contributions determined by (i) the microscopic occurrence of forward/reverse reactions (i.e., unidirectional kinetics) and (ii) the reversibility of reaction (i.e., nonequilibrium thermodynamics). This review aims to provide a comprehensive resource of analytical and conceptual tools which deconvolute the contributions of reaction kinetics and thermodynamics to disambiguate unidirectional reaction trajectories and precisely identify rate- and reversibility-controlling molecular species and steps in reversible reaction systems. The extrication of mechanistic and kinetic information from bidirectional reactions is accomplished through equation-based formalisms (e.g., De Donder relations) grounded in principles of thermodynamics and interpreted in the context of theories of chemical kinetics developed in the past 25 years. Here, the aggregate of mathematical formalisms detailed herein is general to thermochemical and electrochemical reactions and encapsulates a diverse body of scientific literature encompassing chemical physics, thermodynamics, chemical kinetics, catalysis, and kinetic modeling.

42 ENGINEERING↗