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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Using Transport Diagnostics to Understand Chemistry Climate Model Ozone Simulations

We demonstrate how observations of N2O and mean age in the tropical and midlatitude lower stratosphere (LS) can be used to identify realistic transport in models. The results are applied to 15 Chemistry Climate Models (CCMs) participating in the 2010 WMO assessment. Comparison of the observed and simulated N2O/mean age relationship identifies models with fast or slow circulations and reveals details of model ascent and tropical isolation. The use of this process-oriented N2O/mean age diagnostic identifies models with compensating transport deficiencies that produce fortuitous agreement with mean age. We compare the diagnosed model transport behavior with a model's ability to produce realistic LS O3 profiles in the tropics and midlatitudes. Models with the greatest tropical transport problems show the poorest agreement with observations. Models with the most realistic LS transport agree more closely with LS observations and each other. We incorporate the results of the chemistry evaluations in the SPARC CCMVal Report (2010) to explain the range of CCM predictions for the return-to-1980 dates for global (60 S-60 N) and Antarctic column ozone. Later (earlier) Antarctic return dates are generally correlated to higher (lower) vortex Cl(sub y) levels in the LS, and vortex Cl(sub y) is generally correlated with the model's circulation although model Cl(sub y) chemistry or Cl(sub y) conservation can have a significant effect. In both regions, models that have good LS transport produce a smaller range of predictions for the return-to-1980 ozone values. This study suggests that the current range of predicted return dates is unnecessarily large due to identifiable model transport deficiencies.

Strahan, S. E.↗
NASA NTRS1993

Laser flash photolysis studies of atmospheric free radical chemistry using optical diagnostic techniques

Some recent studies carried out in our laboratory are described where laser flash photolytic production of reactant free radicals has been combined with reactant and/or product detection using time-resolved optical techniques to investigate the kinetics and mechanisms of important atmospheric chemical reactions. Discussed are (1) a study of the radical-radical reaction O + BrO yields Br + O2 where two photolysis lasers are employed to prepare the reaction mixture and where the reactants O and BrO are monitored simultaneously using atomic resonance fluorescence to detect O and multipass UV absorption to detect BrO; (2) a study of the reaction of atomic chlorine with dimethylsulfide (CH3SCH3) where atomic resonance fluorescence detection of Cl is employed to elucidate the kinetics and tunable diode laser absorption spectroscopy is employed to investigate the HCl product yield; and (3) a study of the aqueous phase chemistry of Cl2(-) radicals where longpath UV absorption spectroscopy is employed to investigate the kinetics of the Cl2(-) + H2O reaction.

Wine, Paul H.↗
NASA NTRS2001

Spectroscopic diagnostics of organic chemistry in the protostellar environment

A combination of astronomical observations, laboratory studies, and theoretical modelling is necessary to determine the organic chemistry of dense molecular clouds. We present spectroscopic evidence for the composition and evolution of organic molecules in protostellar environments. The principal reaction pathways to complex molecule formation by catalysis on dust grains and by reactions in the interstellar gas are described. Protostellar cores, where warming of dust has induced evaporation of icy grain mantles, are excellent sites in which to study the interaction between gas phase and grain-surface chemistries. We investigate the link between organics that are observed as direct products of grain surface reactions and those which are formed by secondary gas phase reactions of evaporated surface products. Theory predicts observable correlations between specific interstellar molecules, and also which new organics are viable for detection. We discuss recent infrared observations obtained with the Infrared Space Observatory, laboratory studies of organic molecules, theories of molecule formation, and summarise recent radioastronomical searches for various complex molecules such as ethers, azaheterocyclic compounds, and amino acids.

Ethers/analysis/chemical synthesis/chemistry↗
NASA NTRS2013

The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP): Overview and Description of Models, Simulations and Climate Diagnostics

The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) consists of a series of time slice experiments targeting the long-term changes in atmospheric composition between 1850 and 2100, with the goal of documenting composition changes and the associated radiative forcing. In this overview paper, we introduce the ACCMIP activity, the various simulations performed (with a requested set of 14) and the associated model output. The 16 ACCMIP models have a wide range of horizontal and vertical resolutions, vertical extent, chemistry schemes and interaction with radiation and clouds. While anthropogenic and biomass burning emissions were specified for all time slices in the ACCMIP protocol, it is found that the natural emissions are responsible for a significant range across models, mostly in the case of ozone precursors. The analysis of selected present-day climate diagnostics (precipitation, temperature, specific humidity and zonal wind) reveals biases consistent with state-of-the-art climate models. The model-to- model comparison of changes in temperature, specific humidity and zonal wind between 1850 and 2000 and between 2000 and 2100 indicates mostly consistent results. However, models that are clear outliers are different enough from the other models to significantly affect their simulation of atmospheric chemistry.

humidity↗
NASA NTRS1984

Progress in optical parametric oscillators

It is pointed out that tunable coherent sources are very useful for many applications, including spectroscopy, chemistry, combustion diagnostics, and remote sensing. Compared with other tunable sources, optical parametric oscillators (OPO) offer the potential advantage of a wide wavelength operating range, which extends from 0.2 micron to 25 microns. The current status of OPO is examined, taking into account mainly advances made during the last decade. Attention is given to early LiNbO3 parametric oscillators, problems which have prevented wide use of parametric oscillators, the demonstration of OPO's using urea and AgGaS2, progress related to picosecond OPO's, a breakthrough in nanosecond parametric oscillators, the first demonstration of a waveguide and fiber parametric amplification and generation, the importance of chalcopyrite crystals, and theoretical work performed with the aim to understand the factors affecting the parametric oscillator performance.

Fan, Y. X.↗
NASA NTRS2012

Modeling and Observations of the Response of Tropical Tropospheric Ozone to ENSO

The El Nino-Southern Oscillation (ENSO) is the dominant mode of tropical variability on interannual time scales. ENSO appears to extend its influence into the chemical composition of the tropical troposphere, Recent results have revealed an ENSO induced wave-1 anomaly in observed tropical tropospheric column ozone, This results in a dipole over the western and eastern tropical Pacific, whereby differencing the two regions produces an ozone anomaly with an extremely high correlation to the Nino 3.4 Index. We have successfully reproduced this result using the Goddard Earth Observing System Version 5 (GEOS-5) general circulation model coupled to a comprehensive stratospheric and tropospheric chemical mechanism forced with observed sea surface temperatures over the past 25 years, An examination of the modeled ozone field reveals the vertical contributions of tropospheric ozone to the column over the western and eastern Pacific region, We will show targeted comparisons with SHADOZ ozonesondes over these regions to provide insight into the vertical structure. Also, comparisons with NASA's Aura satellite Microwave Limb Sounder (MLS) and Tropospheric Emissions Spectrometer (TES) instruments and other appropriate data sets will be shown. In addition, the water vapor response to ENSO will be compared to help illuminate its role relative to dynamics in impacting ozone concentrations. These results indicate that the tropospheric ozone response to ENSO is potentially a very useful chemistry-climate diagnostic and should be considered in future modeling assessments.

Oman, L. D.↗
NASA NTRS2003

Numerical Simulations and Diagnostic Studies Relating Meteorology To Atmospheric Chemistry during TRACE-P

The Florida State University (FSU) team participated extensively in the pre-mission planning for TRACE-P through meetings, telephone calls, and e-mails. During Spring 2001, Prof. Fuelberg served as DC-8 Mission Meteorologist during the field campaign. He prepared meteorological guidance for each flight of the DC-8 and flew on each mission. After the field phase, FSU prepared various meteorological products, included backward air trajectories, for each flight of the DC-8 and P-3B. These were posted on the FSU and NASA-GTE web sites for use by all the Science Team. During the two-year post mission period, FSU conducted research relating meteorology to atmospheric chemistry during TRACE-P. This led to three journal articles in the Journal of Geophysical Research. FSU personnel were the lead authors on each of these articles. Abstracts of these articles are attached. In addition, the FSU team collaborated with other members of the TRACE-P Science Team to incorporate meteorological factors into their research. A list of publications resulting from these interactions is included.

Fuelberg, Henry E.↗
NASA NTRS1995

Organic molecules in the gas phase of dense interstellar clouds

Since a previous Committee on Space Research (COSPAR) review on this subject, the number of molecular species identified by astronomers in dense interstellar clouds or in the envelopes expelled by evolved stars has grown from about eighty to approximately one hundred. Recent detections in stellar envelopes include the radical CP, the second phosphorus-containing astronomical molecule; SiN, the first astronomical molecule with a Si-N bond; and the HCCN radical. In the dense interstellar clouds recent detections or verifications of previous possible identifications include the H3O(+) ion, which is a critical intermediary in the production of H2O and O2; the CCO radical, which is isoelectronic with HCCN; the SO(+) ion, which appears to be diagnostic of shock chemistry; two new isomers of cyanoacetylene, HCCNC and CCCNH; and the two cumulenes H2C3 and H2C4. Some recent work is also described on the mapping of interstellar clouds in multiple molecular transitions in order to separate variations in chemical abundance from gradients in physical parameters.

Irvine, W. M.↗
NASA NTRS1999

Models and Measurements Intercomparison 2

Models and Measurement Intercomparison II (MM II) summarizes the intercomparison of results from model simulations and observations of stratospheric species. Representatives from twenty-three modeling groups using twenty-nine models participated in these MM II exercises between 1996 and 1999. Twelve of the models were two- dimensional zonal-mean models while seventeen were three-dimensional models. This was an international effort as seven were from outside the United States. Six transport experiments and five chemistry experiments were designed for various models. Models participating in the transport experiments performed simulations of chemically inert tracers providing diagnostics for transport. The chemistry experiments involved simulating the distributions of chemically active trace cases including ozone. The model run conditions for dynamics and chemistry were prescribed in order to minimize the factors that caused differences in the models. The report includes a critical review of the results by the participants and a discussion of the causes of differences between modeled and measured results as well as between results from different models, A sizable effort went into preparation of the database of the observations. This included a new climatology for ozone. The report should help in evaluating the results from various predictive models for assessing humankind perturbations of the stratosphere.

Park, Jae H.↗
NASA NTRS1980

Molecular diagnostics of interstellar shocks

The chemistry of molecules in shocked regions of the interstellar gas is considered and calculations are carried out for a region subjected to a shock at a velocity of 8 km/sec. Substantial enhancements are predicted in the concentrations of the molecules H2S, SO, and SiO compared to those anticipated in cold interstellar clouds.

Hartquist, T. W.↗
NASA NTRS2012

The Connection between Model Performance on the CCMVal Transport Diagnostics and Simulated Sensitivity of Ozone to Chlorine Change

The chemistry climate models that contributed simulations for past and future ozone evolution to the 2010 Scientific Assessment of Ozone Depletion were subject to extensive evaluation by the SPARC (Stratospheric Processes and their Role in Climate) CCMVal (Chemistry-Climate Model Validation) activity. The sensitivity of ozone to changes in composition and climate varies among the models, but the relationship between these variations and the model evaluations of CCMVal is not obvious. We have learned that the transport evaluation can be used to interpret the comparisons between observed and simulated columns of chlorine reservoirs, hydrochloric acid (HCl) and chlorine nitrate (ClONO2); these comparisons were part of the CCMVal evaluation of chemistry. The simulations with best performance on the transport diagnostics most faithfully reproduce the evolution and seasonal variation of the chlorine reservoirs as observed at NDACC (Network for Detection of Atmospheric Composition Change) stations (NyAlesund 78.9N, Kiruna 67.8N, Harestua 60.2N, Jungfraujoch 46.6N, Toronto 43.6N, Kitt Peak 31.9N, Izana 28.3N, Mauna Loa 19.5N, Lauder 45S and Arrival Heights 77.8S). In the simulations, the HCl in the lower stratosphere depends on total inorganic chlorine (Cly) and partitioning between HCl and ClON02. Total inorganic chlorine depends on the fractional release of chlorine from source gases, and ratio of ClON02 to HCl is inversely dependent on methane and varies quadratically with ozone. Simulated HCl from various models may agree with observations even though Cly is in error, partitioning is in error, or both. Simulated ozone sensitivity to chlorine is shown to be greater for models that produce larger values of chlorine nitrate for background chlorine levels, and vice versa. Comparisons with the NDACC data show why the models with 'best' transport have similar sensitivity to chlorine change. The realistic evolution of the simulated HCl and ClONO2 columns suggests realistic levels of Cly in the lower atmosphere. In addition, the wide range values for the sensitivity of ozone to chlorine obtained from the CCMVal simulations is explained by the wide range in lower atmospheric columns of ClONO2 and the concomitant wide range of levels for chlorine monoxide.

Douglass, Anne↗
NASA NTRS1999

Computational and Experimental Study of Energetic Material in a Counterflow Microgravity Environment

Ground based (normal gravity) combustion studies can provide important information on the processes by which monopropellants and composite systems burn. The effects of gravitational forces, however, can often complicate the interpretation of the models and the implementation of experiments designed to help elucidate complex issues. We propose to utilize a combined computational/experimental approach in a microgravity environment to understand the interaction of oxidizer-binder diffusion flames in composite propellants. By operating under microgravity conditions we will be able to increase the length scales and suppress the gravitational forces on melting binders such that increased resolution of both major and minor species will be possible thus reducing the demands placed on both the computational and diagnostic tools. Results of a detailed transport/finite rate chemistry model will be compared with nonintrusive optical diagnostic measurements of the structure and extinction of diffusion flames in which oxidizers such as ammonium perchlorate (AP) and ammonium dinitramide (ADN) are counterflowed against realistic binders such as hydroxyl-terminated polybutadiene (HTPB) and 3,3-bis(azidomethyl)oxetane (BAMO). The work proposed herein represents a collaborative effort among the research groups at Yale University, Princeton University and the Combustion Diagnostics Laboratory at the Naval Air Warfare Center in China Lake, CA.

Smooke, Mitchell D.↗
NASA NTRS2018

Chemical Modeling of the Reactivity of Short-Lived Greenhouse Gases: A Model Inter-Comparison Prescribing a Well-Measured, Remote Troposphere

We develop a new protocol for merging in situ measurements with 3-D model simulations of atmospheric chemistry with the goal of integrating over the data to identify the most reactive air parcels in terms of tropospheric production and loss of the greenhouse gases ozone and methane. Presupposing that we can accurately measure atmospheric composition, we examine whether models constrained by such measurements agree on the chemical budgets for ozone and methane. In applying our technique to a synthetic data stream of 14,880 parcels along 180W, we are able to isolate the performance of the photochemical modules operating within their global chemistry-climate and chemistry-transport models, removing the effects of modules controlling tracer transport, emissions, and scavenging. Differences in reactivity across models are driven only by the chemical mechanism and the diurnal cycle of photolysis rates, which are driven in turn by temperature, water vapor, solar zenith angle, clouds, and possibly aerosols and overhead ozone, which are calculated in each model. We evaluate six global models and identify their differences and similarities in simulating the chemistry through a range of innovative diagnostics. All models agree that the more highly reactive parcels dominate the chemistry (e.g., the hottest 10% of parcels control 25-30% of the total reactivities), but do not fully agree on which parcels comprise the top 10%. Distinct differences in specific features occur, including the regions of maximum ozone production and methane loss, as well as in the relationship between photolysis and these reactivities. Unique, possibly aberrant, features are identified for each model, providing a benchmark for photochemical module development. Among the 6 models tested here, 3 are almost indistinguishable based on the inherent variability caused by clouds, and thus we identify 4, effectively distinct, chemical models. Based on this work, we suggest that water vapor differences in model simulations of past and future atmospheres may be a cause of the different evolution of tropospheric O3 and CH4, and lead to different chemistry-climate feedbacks across the models.

greenhouse gases↗
NASA NTRS1999

Quantitative Interpretation of Optical Emission Sensors for Microgravity Experiments

Microgravity flight experiments uniquely test our knowledge and understanding of the coupling between chemistry and fluid mechanics. However, compared to ground based laboratory experiments the number of useful diagnostic tools suitable for microgravity environments is severely limited by the space, weight, power consumption, and operator complexity requirements. One of the available tools is the observation of optical emission, and total emission has already proven useful for observations of stable "flame balls" on the space shuttle. Wavelength resolved tomographic measurements of flame emission offer the promise of diagnostics to test our understanding of flame chemistry and structure. Individual emissions from electronically excited radicals, e.g., CH*, OH*, and C2*, can be identified in a methane/air flame. Spatially resolved measurements of the intensity of this resolved optical emission from a specific excited molecule enable chemically resolved flame structure studies. Wavelength resolved emission measurements to determine such structure in diffusion flames are being readied for flight experiments by a group at Yale headed by Profs. Smooke and Long. A quantitative relationship between emission intensity and flame properties, as expressed by a flame model, is needed for species specific optical emission measurements to fulfill its promise. The Yale group compared models and measurements of optical emission in laboratory tests at 1-g. Unfortunately, these experiments show disagreement between measurement and state-of-the-art flame models by over a factor of 50. Therefore, an improved chemical mechanism for optical emission from flames is needed to enable quantitative tests of microgravity flame models. The connection between excited state emission and flame chemistry is not yet adequate.

Jeffries, Jay B.↗
NASA NTRS1986

Diagnostic analysis of two-dimensional monthly average ozone balance with Chapman chemistry

Chapman chemistry has been used in a two-dimensional model to simulate ozone balance phenomenology. The similarity between regions of ozone production and loss calculated using Chapman chemistry and those computed using LIMS and SAMS data with a photochemical equilibrium model indicate that such simplified chemistry is useful in studying gross features in stratospheric ozone balance. Net ozone production or loss rates are brought about by departures from the photochemical equilibrium (PCE) condition. If transport drives ozone above its PCE condition, then photochemical loss dominates production. If transport drives ozone below its PCE condition, then photochemical production dominates loss. Gross features of ozone loss/production (L/P) inferred for the real atmosphere from data are also simulated using only eddy diffusion. This indicates that one must be careful in assigning a transport scheme for a two-dimensional model that mimics only behavior of the observed ozone L/P.

Stolarski, Richard S.↗
NASA NTRS1985

Investigation of test methods, material properties, and processes for solar cell encapsulants

Progress in solar energy technology is reported in the following areas: aging and life prediction methodology and devices for solar cell encapsulation; the function of adhesion chemistry, primers, and a new diagnostic technique for estimations of bond durability; a study of fire retardant formulations for decreasing the potential flammability of solar modules; initial studies of the electrical insulating properties of encapsulation materials and measurement of the intrinsic dielectric strength; antisoiling compounds for the prevention of soil build-up on the outer surface of the module; and low temperature processing encapsulants that permit module fabrication at temperatures less than 100 C. Another area of study has been added to determine the degree to which formulation and processes affect the module quality and manufacturing yield.

Willis, P. B.↗
NASA NTRS1995

Investigation of infra-red and nonequilibrium air radiation

This report describes progress on the first year of a research program on the infrared radiation of air plasmas conducted in the High Temperature Gasdynamics Laboratory at Stanford University. This program is intended to investigate the masking of infrared signatures by the air plasma formed behind the bow shock of high velocity missiles. To this date, the radiative emission of air plasmas in the infrared has been the object of few experimental investigations, and although several infrared systems are already modeled in radiation codes such as NEQAIR, measurements are required to validate numerical predictions and indicate whether all transitions of importance are accounted for. The present program is motivated by the fact that 9 excited states (A, B, C, D, B', F, H, and H') of NO radiate in the infrared, especially between 1 and 1.5 microns where at least 9 transitions involving can be observed. Because these IR transitions are relatively well separated from each other, excited NO states concentrations can be easily measured, thus providing essential information on excited-state chemistry for use in optical diagnostics or in electronic excitation model validation. Developing accurate collisional-radiative models for these excited NO states is of importance as the UV-VUV transitions of NO (beta, gamma, epsilon, beta prime, gamma prime) produce a major, if not dominant, fraction of the radiation emitted by air plasmas. During the first year of the program, research has focused on the spectral range 1.0 to 1.5 microns, as detailed in Section 2 of this report. The measurements, conducted in a 50 kW radio-frequency inductively coupled plasma torch operating on air at atmospheric pressure, extend previous shock tube investigations by Wray to a wider spectral range (1.0 to 1.5 microns vs 0.9 to 1.2 microns) and higher temperatures (7600 K in the plasma torch versus 6700 K in the shock-tube). These higher temperatures in the present experiment have made it possible to observe high-lying excited NO states that were previously undetectable. These measurements are currently being extended up to 5 microns, with particular attention paid to the rovibronic bands of ground state NO, molecular continua, CO transitions, and other systems of importance. Publications and presentations resulting from or related to this work are cited in Section 3, and Section 4 lists the personnel who contributed to this report.

Kruger, Charles H.↗
NASA NTRS1994

Investigation of Infra-red and Nonequilibrium Air Radiation

This report summarizes the results obtained during a research program on the infrared radiation of air plasmas conducted in the High Temperature Gasdynamics Laboratory at Stanford University. This program was intended to investigate the masking of infrared signatures by the air plasma formed behind the bow shock of high velocity missiles. Prior to this work, the radiative emission of air plasmas in the infrared had been the object of few experimental investigations, and although several infrared systems were already modeled in radiation codes such as NEQAIR, measurements were required to validate numerical predictions and indicate whether all transitions of importance were accounted for in the model. The program was further motivated by the fact that 9 excited states (A, B, C, D, B', F, H, and H') of NO radiate in the infrared, especially between 1 and 1.5 microns where at least 9 transitions involving can be observed. Because these IR transitions are relatively well separated from each other, excited NO states concentrations can be easily measured, thus providing essential information on excited-state chemistry for use in optical diagnostics or in electronic excitation model validation. Detailed comparisons between measured and simulated spectra are presented.

Kruger, Charles H.↗