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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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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Model studies on the role of moist convection as a mechanism for interaction between the mesoscales

A three year research effort is described which had as its goal the development of techniques to improve the numerical prediction of cumulus convection on the meso-beta and meso-gamma scales. Two MESO models are used, the MASS (mesoscale) and TASS (cloud scale) models. The primary meteorological situation studied is the 28-29 Jun. 1986 Cooperative Huntsville Meteorological Experiment (COHMEX) study area on a day with relatively weak large scale forcing. The problem of determining where and when convection should be initiated is considered to be a major problem of current approaches. Assimilation of moisture data from satellite, radar, and surface data is shown to significantly improve mesoscale simulations. The TASS model is shown to reproduce some observed mesoscale features when initialized with 3-D observational data. Convection evolution studies center on comparison of the Kuo and Fritsch-Chappell cumulus parameterization schemes to each other, and to cloud model results. The Fritsch-Chappell scheme is found to be superior at about 30 km resolution, while the Kuo scheme does surprisingly well in simulating convection down to 10 km in cases where convergence features are well-resolved by the model grid. Results from MASS-TASS interaction experiments are presented and discussed. A discussion of the future of convective simulation is given, with the conclusion that significant progress is possible on several fronts in the next few years.

Waight, Kenneth T., III↗
NASA NTRS1982

A model study of Fuego volcanic aerosol dispersion in the lower stratosphere

A zonally averaged time-dependent primitive equation model is used to simulate the dispersion of both a carbon 14 injection and the volcanic aerosol from the 1974 Fuego eruption. It is noted that both injections occurred at low latitudes to midlatitudes in the Northern Hemisphere. The eddy flux terms, which account for the major portion of the transport in the lower stratosphere of this model, are specified in a manner similar to that of Harwood and Pyle (1975). Comparisons with data underline the ability of the model to simulate the vertical character of the tracer while maintaining reasonable meridional transport times. For the aerosol study, the simulated 1/e decay time at 37 deg N and for the 16- to 21-km altitude region is 9 months, whereas lidar measurements at the same latitude give a decay time of 8 months. The simulated vertical width at half-maximum for the aerosol tracer at 37 deg N and 19 deg N and for 6 months after the event possesses values of 5.0 km and 3.6 km, respectively, whereas the observed lidar values are 4.4 km and 3.0 km, respectively. The tracer transport to the Southern Hemisphere also is in qualitative agreement with the limited data that are available.

Remsberg, E. E.↗
DOE OSTI2021

Modeling Study of Reduced Tubing Size Effects on Flow in Depleted Reservoir Natural Gas Storage Wells

This report explores the effects of tubing size reductions on natural gas flow from representative depleted reservoir underground storage wells and fields using basic models for coupled reservoir and pipe flow. This work was motivated by interest at the U.S. Department of Transportation, Pipeline and Hazardous Materials Safety Administration, in evaluating the effects of tubing and packer as a potential safety upgrade to implement double-barrier systems to existing underground natural gas storage wells. Reservoir and well flow models were developed from widely accepted industry equations, verified against a commercial process simulator model, and validated against field data. The study utilized U.S. operator survey data to provide context and assure that modeling parameters including aver age deliverability rates for wells and fields, operating pressures, well depths, and storage capacities were all carefully considered to keep the modeling relevant to the known range of U.S. operations. The models generally found that wells and fields with inherently low deliverability were relatively insensitive to reductions in tubing diameter, primarily because the hydraulics in those cases were controlled by reservoir properties. For the high-producing wells and fields, the models found that reducing tubing diameter could produce significant reductions in deliverability, both at the field- and well-level. When put into context with occurrence data regarding average deliverability of fields and wells, it appears that most wells and most fields across the U.S. would experience deliverability reductions on the low end of what was simulated here, generally below 20%. For fields with moderate to high deliverability, reductions were generally larger, and could reach as high as 60% for the highest-producing wells and fields.

03 NATURAL GAS↗
NASA NTRS1983

PAN AIR modeling studies

PAN AIR is a computer program that predicts subsonic or supersonic linear potential flow about arbitrary configurations. The code's versatility and generality afford numerous possibilities for modeling flow problems. Although this generality provides great flexibility, it also means that studies are required to establish the dos and don'ts of modeling. The purpose of this paper is to describe and evaluate a variety of methods for modeling flows with PAN AIR. The areas discussed are effects of panel density, internal flow modeling, forebody modeling in subsonic flow, propeller slipstream modeling, effect of wake length, wing-tail-wake interaction, effect of trailing-edge paneling on the Kutta condition, well- and ill-posed boundary-value problems, and induced-drag calculations. These nine topics address problems that are of practical interest to the users of PAN AIR.

Towne, M. C.↗
NASA NTRS1980

Scale model studies for establishing the flow patterns of a low-speed tunnel

Experiments were conducted in a model tunnel scaled down in a ratio of 1:24 from the full size prototype V/STOL tunnel at NASA Langley Research Center. The flow characteristics around the tunnel were studied and the location and causes of local flow separation and local recirculation were documented. The study of the interaction between the various components from which the tunnel is built, an experimental setup similar to the sequence of tunnel circuit components was constructed which enabled the various components to be tested either individually or in combination. The components were tested by the simple technique of blowing air through them, then measuring the velocity distribution at relevant sections.

Barna, P. S.↗
DOE OSTI2025

Theoretical and kinetic modeling study of H 2 S pyrolysis

Hydrogen sulfide pyrolysis was investigated theoretically and through chemical kinetic modeling. Reactions on the SHH potential energy surface, primarily S + H 2 (+Ar) ⇌ H 2 S (+ Ar) (R1) and S + H 2 ⇌ SH + H (R6b) were characterized by ab initio calculations. Results for k 1 were in good agreement with experiment, but deviated strongly below 2000 K from values previously used in modeling. Collider efficiencies for H 2 S, S 2 , and N 2 compared to Ar were calculated for R1. Hydrogen sulfide decomposition experiments reported in literature were re-examined in terms of an updated detailed chemical kinetic model. Concentration profiles for the atomic S at high temperature in shock tubes supported the present value of k 1 and served to constrain the rate constants for reaction of S with SH and H 2 S. To explain results from batch and flow reactors, conducted at high H 2 S concentrations in the 900–1400 K range, a very fast rate constant was required for HSS + H ⇌ SH + SH. Under dilute conditions, the gas-phase chemistry was too slow to compete and the decomposition of H 2 S was controlled by loss on the reactor surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

A thermal scale modeling study for Apollo and Apollo applications, volume 2

The development and demonstration of practical thermal scale modeling techniques applicable to systems involving radiation, conduction, and convection with emphasis on cabin atmosphere/cabin wall thermal interface are discussed. The Apollo spacecraft environment is used as the model. Four possible scaling techniques were considered: (1) modified material preservation, (2) temperature preservation, (3) scaling compromises, and Nusselt number preservation. A thermal mathematical model was developed for use with the Nusselt number preservation technique.

Shannon, R. L.↗
NASA NTRS1976

A model study of the impact of emission control strategies on Los Angeles air quality

A generalized cell model is developed for the calculation of city-wide averages of photochemical smog components in Los Angeles. This model takes into account the effects of variations with time and within the city of the source strengths, the wind field, and the mixing depth. The effect of the influx of background pollution from outside the modeled volume is also included. Several control strategies for reducing automobile emissions are then introduced into the model, and their impact on predicted pollutant levels, particularly those of O3, are investigated.

Hameed, S.↗
NASA NTRS1981

Implications of smaller concentrations of stratospheric OH - A two-dimensional model study of ozone perturbations

There is growing observational evidence that stratospheric OH concentrations are smaller than models have been predicting. Using very recent HOx reaction rate coefficient measurements in a two-dimensional photochemical model, results which support these observations are obtained. As a consequence of smaller OH concentrations, we show that perturbations of stratospheric ozone by NOx (SST emissions and nitrogen fertilizers) may be larger than expected, while perturbations due to added water vapor and chlorine (SSTs and chlorofluoromethanes, respectively) may be smaller.

Whitten, R. C.↗
NASA NTRS1988

Photochemical trajectory modelling studies of the 1987 Antarctic spring vortex

Simulations of Antarctic ozone photochemistry performed using a photochemical model integrated along air parcel trajectories are described. This type of model has a major advantage at high latitudes of being able to simulate correctly the complex interaction between photolysis and temperature fields, which, because of the polar night cannot be represented accurately in a zonally averaged framework. Isentropic air parcel trajectories were computed using Meteorological Office global model analyses and forecast fields from positions along the ER-2 flight paths during the Airborne Antarctic Ozone Experiment in Austral Spring 1987. A photochemical model is integrated along these trajectories using the aircraft observations to initialize constituent concentrations. The model includes additional reactions of the ClO dimer and also bromine reactions, which are thought to play a significant role in Antarctica. The model also includes heterogeneous reactions which are invoked when the air parcel passes through a polar stratospheric cloud (PSC). The existence of a PSC is determined throughout the course of the model integration from the parcel temperature and the saturated vapour pressure of water over an assumed H2O/HNO3 mixture. The air parcel temperature is used to determine the saturated vapor pressure of HNO3 over the same mixture. Mixing ratios which exceed saturation result in condensation of the excess in the model and hence lead to a reduction of the amount of gas phase NO2 available for chemical reaction.

Austin, J.↗
DOE OSTI2023

A wide range experimental and kinetic modeling study of the oxidation of 2,3-dimethyl-2-butene: Part 1

2,3-Dimethyl-2-butene (TME) is a potential fuel additive with high research octane number (RON) and octane sensitivity (S), which can improve internal combustion engine performance and efficiency. However, the combustion characteristics of TME have not been comprehensively investigated. Thus, it is essential to study the combustion characteristics of TME and construct a detailed chemical kinetic model to describe its combustion. In this paper, two high-pressure shock tubes and a constant-volume reactor are used to measure ignition delay times and laminar flame speeds of TME oxidation. Further, the ignition delay times were measured at equivalence ratios of 0.5, 1.0, and 2.0 in “air”, at pressures of 5 and 10 bar, in the temperature range of 950 – 1500 K. Flame speeds of the TME/ “air” mixtures were measured at atmospheric pressure, at a temperature of 325 K, for equivalence ratios ranging from 0.78 to 1.31. Two detailed kinetic mechanisms were constructed independently using different methodologies; the KAUST TME mechanism was constructed based on NUIGMech1.1, and the MIT TME mechanism was built using the Reaction Mechanism Generator (RMG). Both mechanisms were used to simulate the experimental results using Chemkin Pro. In the present work, reaction flux and sensitivity analyses were performed using the KAUST mechanism to determine the critical reactions controlling TME oxidation at the conditions studied.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1989

Lagrangian photochemical modeling studies of the 1987 Antarctic spring vortex. I - Comparison with AAOE observations

Results from the Lagrangian photochemical model integrated along computed air parcel trajectories intersected by the ER-2 aircraft are presented and compared with AAOE observations. According to the model, the BrO observations made from the ER-2 within the dehydrated denitrified region are consistent with there being approximately 5 parts per trillion by volume of BrO(y) at 428 K in spring. Within the high ClO region, ozone destruction rates are expected to exceed 2 percent/d with approximately 80 percent due to the ClO dimer mechanism.

Jones, R. L.↗
NASA NTRS2011

Experimental and Modeling Studies of the Combustion Characteristics of Conventional and Alternative Jet Fuels. Final Report

The objectives of this project have been to develop a comprehensive set of fundamental data regarding the combustion behavior of jet fuels and appropriately associated model fuels. Based on the fundamental study results, an auxiliary objective was to identify differentiating characteristics of molecular fuel components that can be used to explain different fuel behavior and that may ultimately be used in the planning and design of optimal fuel-production processes. The fuels studied in this project were Fischer-Tropsch (F-T) fuels and biomass-derived jet fuels that meet certain specifications of currently used jet propulsion applications. Prior to this project, there were no systematic experimental flame data available for such fuels. One of the key goals has been to generate such data, and to use this data in developing and verifying effective kinetic models. The models have then been reduced through automated means to enable multidimensional simulation of the combustion characteristics of such fuels in real combustors. Such reliable kinetic models, validated against fundamental data derived from laminar flames using idealized flow models, are key to the development and design of optimal combustors and fuels. The models provide direct information about the relative contribution of different molecular constituents to the fuel performance and can be used to assess both combustion and emissions characteristics.

Meeks, Ellen↗
DOE OSTI2020

Experimental and modeling study of 1/ f noise in multilayer MoS2 and MoSe2 field-effect transistors

In field-effect transistors (FETs) with two-dimensional (2D) transition metal dichalcogenide channels, the dependence of field-effect mobility on atomic layer thickness has been studied and interpreted in terms of interface scattering and interlayer coupling resistance (Rint). However, a model for 1/f noise, such as in MoS2 and in MoSe2 FETs, for various contact metals and layer number thicknesses has not been reported. In this work, we have experimentally studied current–voltage and 1/f noise on MoS2 and MoSe2 FETs with source and drain contacts of high and low work function metals to understand both the mobility and the noise behavior. We have developed a noise model incorporating layer number dependent Hooge parameters and Rint. The noise and mobility models utilize screening lengths for charge, mobility, and Hooge parameter to describe the variation of these quantities with a layer number. Using our single model topology with appropriate fitting parameters for each material and each contact metal, the model captures the experimentally observed layer thickness dependence of the Hooge parameter. Our noise analysis is fully comprehensive and, hence, could be applied to any 2D layered systems.

Kwon, Jiseok↗
NASA NTRS1983

Three-Dimensional Tracer Model Study of Atmospheric CO2 - Response to Seasonal Exchanges with the Terrestrial Biosphere

A three-dimensional tracer transport model is used to investigate the annual cycle of atmospheric CO2 concentration produced by seasonal exchanges with the terrestrial biosphere. The tracer model uses winds generated by a global general circulation model to advect and convect CO2; no explicit diffusion coefficients are employed. A biospheric exchange function constructed from a map of net primary productivity, and Azevedo's (1982) seasonality of CO2 uptake and release closely simulates the annual cycles at coastal stations. The results show that zonal homogeneity in surface CO2 concentrations can never be achieved at mid-latitudes where the time scale for zonal mixing is longer than the time scale for biospheric exchange. Analysis of the zonal mean balance in the lower troposphere reveals that atmospheric transport processes may alter the CO2 response to local biospheric exchanges by 50% or more. Hence year-to-year variation of the annual CO2 cycle may result from the natural variability of the atmospheric circulation as well as from changes in the sources and sinks.

Fung, I.↗
DOE OSTI2025

Mechanical separations of corn stover anatomical fractions in an integrated feedstock preprocessing system: An experimental and data-driven modeling study

High variabilities of material attributes in lignocellulosic biomass present risks for biofuel and biochemical productions and must be mitigated via preprocessing. Since almost no mechanical device is originally designed for processing biomass, how to operate existing apparatuses with efficient performance has not been investigated extensively. This work presents a study on an integrated screening and air classification to separate cobs and stalks from husks and leaves in corn stover. Prototype machine learning models were developed to assess the feasibility of predicting the process outcome based on the measurable parameters. The models trained upon limited experimental data rendered decent predictive accuracy of yield and purity. The experimental data and modeling results collectively suggest decreasing throughput leads to a higher purity. To the contrary, if throughput increases, a lower purity is likely. A possible trade-off between yield and purity of the separated streams indicates the need for optimal combinations of feedstock size, moisture, and throughput to achieve optimized separations. The results of this study also suggest the need to further improve model predictability by developing more accurate formulations for physics governing the integrated unit operations. To accomplish this, additional experimental data needs to be generated for model training.

09 - BIOMASS FUELS↗
DOE OSTI2025

Experimental and fuel-surrogates modeling study of the high-pressure pyrolysis of specialty cetane number fuels: implications for fall-off in ethylene unimolecular dissociation

Single pulse shock tube experiments were conducted at 50 atm nominal pressure and 4 ms nominal reaction time over a temperature range of 900–1800 K, to study the pyrolysis speciation of a multi-component jet fuel, F-24, and six cetane number (CN) specialty fuels - CN30, CN35, CN40, CN45, CN50, and CN55. Gas chromatography (GC) was used to qualitatively and quantitatively analyze the post shock gases. The relationship between the formation of key pyrolysis species and the chemically controlled combustion propensity as reflected by the cetane number of each fuel was examined. A surrogate-based mechanism from the CRECK Modelling Group and chemical-functional group based optimized surrogates (CFGO) were used to simulate the pyrolysis speciation results. The model was able to capture the chemistry of most species except two important pyrolysis intermediates – ethylene and acetylene. Chemical kinetic analyses were performed to identify the important reactions which affect the chemistry of these species; however, the rate parameters of critical reactions were found to be unsuitable for simulating the present high-pressure studies. Here, to address this unsuitability, a theory-based fall-off analysis for three reactions representing the decomposition of ethylene and subsequent formation of acetylene was performed, and these are included in an updated version of the CRECK mechanism. This update resolves discrepancies between the experimental results and simulations for ethylene and acetylene. Reaction flux analyses using the updated surrogate model were also performed to identify the important reaction pathways responsible for the formation of crucial species and to provide an analysis of the chemistry of complex multi-component fuel systems. The fundamental reactions responsible for driving pyrolysis chemistry were greatly influenced by the chemical functional groups present in these fuels. In addition to updating the rate parameters of specific reactions to improve modeling, this study also emphasizes the effectiveness of the fuel-surrogate approach, where surrogates representing the chemical functional group composition of the parent fuel serve as a valuable tool for predicting the combustion chemistry of novel fuels.

Chemical Kinetics↗
NASA NTRS1983

A general circulation model study of atmospheric carbon monoxide

The carbon monoxide cycle is studied by incorporating the known and hypothetical sources and sinks in a tracer model that uses the winds generated by a general circulation model. Photochemical production and loss terms, which depend on OH radical concentrations, are calculated in an interactive fashion. The computed global distribution and seasonal variations of CO are compared with observations to obtain constraints on the distribution and magnitude of the sources and sinks of CO, and on the tropospheric abundance of OH. The simplest model that accounts for available observations requires a low latitude plant source of about 1.3 x 10 to the 15th g/yr, in addition to sources from incomplete combustion of fossil fuels and oxidation of methane. The globally averaged OH concentration calculated in the model is 750,000/cu cm. Models that calculate globally averaged OH concentrations much lower than this nominal value are not consistent with the observed variability of CO. Such models are also inconsistent with measurements of CO isotopic abundances, which imply the existence of plant sources.

Pinto, J. P.↗