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NASA NTRSDate not supplied

Ensemble Forecasting/Assimilation/Emissions Estimation with WRF-Chem/DART: Accomplishments, Lessons Learned, and Future Plans

Over the past ten years, we have been conducting research on regional ensemble atmospheric composition forecasting/data assimilation/emissions estimation with WRF-Chem/DART. WRF- Chem/DART integrates the Weather Research and Forecasting model (WRF) with online chemistry (WRF-Chem) into the Data Assimilation Research Testbed (DART). DART is an ensemble data assimilation system based on the ensemble adjustment Kalman filter (EAKF) with adaptive inflation, localization (physical and state space), and an optional non-Gaussian formulation of the EAKF. DART includes assimilation of meteorological and limited chemical observations. WRF-Chem/DART extends DART to include assimilation of: MOPITT CO; IASI CO and O3; MODIS AOD; OMI O3, NO2, and SO2; TROPOMI CO, O3, NO2, and SO2, TES CO, CO2 (research mode), O3, NH3, and CH4 (research mode); CrIS CO, O3, NH3, CH4 (research mode), and PAN; SCIAMACHY NO2; GOME2a NO2; MLS O3 and HNO3; and proxy TEMPO O3, and NO2 satellite retrievals as raw retrievals or as ‘compact phase space retrievals’ (CPSRs) for profile retrievals. WRF-Chem/DART also assimilates in situ atmospheric composition measurements and uses the ‘state augmentation method’ for emissions estimation. In our presentation, we will provide an overview of WRF-Chem/DART: • applications and results; • lessons learned from: (i) independent versus joint assimilation; (ii) total/partial column versus profile retrieval assimilation; (iii) joint in situ and retrieval assimilation; (iv) assimilation at grid resolutions ranging from 100 km to 4 km; (v) dynamic emissions estimation; and • future work related to wildfire emissions estimation and intercomparison of CMAQ (online)/JEDI and CMAQ (online and offline)/DART.

WRF-Chem/DART↗
NASA NTRSDate not supplied

An Ensemble Investigation of the Causes for Regional Air-Quality Model Critical Load Exceedances Prediction Variability in European and North American Domains Using Diagnostics From Phase 4 of the Air Quality Model Evaluation International Initiative

We summarize tentative findings from multi air quality model ensembles for the years 2009 and 2010 in Europe (EU), and 2010 and 2016 in North America (NA), under AQMEII-4. The model predictions of sulphur and nitrogen deposition were used to estimate exceedances of critical loads for acidification and eutrophication, to show the extent to which the ensemble members agree in the magnitude and the trend of ecologically meaningful impacts. Model exceedance variability was analyzed using AQMEII-4 diagnostics. Evaluation against concentration and wet deposition observations, coupled with these diagnostics, identified specific process representations as the causes for variability between model predictions and for reduced model performance. All models predicted reductions in ecosystem acidification impacts in North America between the years 2010 and 2016, in accord with SO2 emissions reduction legislation which started in 2010 (SO2 SIP) However, all models in EU and NA domains had net negative biases for wet deposition of sulphur and nitrogen relative to observations. The wet S deposition average mean bias for the NA ensemble was -0.17 eq ha-1 d-1, and for the EU ensemble -1.15 eq ha-1 d-1. The NA daily wet deposition average mean bias for NH4+ was -0.37 eq ha-1d-1; EU -1.19 eq ha-1 d-1. The daily NA wet NO3- deposition average mean bias was -0.24 eq ha-1d-1; EU -0.69 eq ha-1 d-1. The members of the ensemble diverged (factor of 10) in their North American predictions for Ndep and consequently their eutrophication exceedances. The models with the highest eutrophication predictions also predicted the highest levels of gas-phase ammonia dry deposition (standard deviation of ammonia dry deposition flux across ensemble members was larger than the ensemble average). These models also had negative biases of predicted ammonia concentrations; average mean biases of -0.63 (satellite NH3) and -0.85 ppbv (surface NH3) compared to ensemble averages of -0.30 and -0.34 ppbv. Diagnostics showed that these differences resulted from the manner in which bidirectional ammonia fluxes were parameterized within these models. The second largest source of NA eutrophication prediction variability were models with positive biases in particulate ammonium and nitrate concentrations, and higher particle nitrogen deposition levels ( particle ammonium concentration bias +0.35 ug m-3; ensemble bias +0.15 ug m-3). We believe two factors may have led to these latter overestimates: higher levels of fine mode particle nitrate formation compared to other models (due to the use of an inorganic heterogeneous chemistry algorithm which did not take base cation chemistry into account), and updates to particle dry deposition velocities carried out in the absence of concurrent updates to wet scavenging algorithms. The relative importance of dry gas, dry particulate, and wet deposition towards total sulphur and nitrogen deposition totals differed between EU and North American domains, though all models had negative biases in wet deposition as noted above. Parallel and subsequent work suggests that multiphase hydrometeor scavenging may improve model wet deposition performance. An increased research focus is recommended for four model processes: multiphase hydrometeor scavenging, ammonia bidirectional fluxes, base cation chemistry and emissions, and particle dry deposition.

regional air-quality model↗
NASA NTRS1972

The design and development of a miniature bi-stable latching solenoid valve for low thrust resistojets

The design approach and development demonstration are presented for a flightweight, miniature, magnetic latching shutoff valve, suitable for use with the ruggedized H2 and NH3 resistojet and the biowaste resistojet. The design criteria established provided for compatibility with specified ruggedized resistojet propellants as well as the biowaste and other propulsion system propellants.

Lynch, R. A.↗
NASA NTRS1971

Absorbing ice model of interstellar grains.

Extinction curves have been calculated for Mie scattering by grains with a refractive index m equals to n - ik, where n was between 1.3 and 2.0 and k varied from 0 to 0.5. A good fit for the observed interstellar extinction in the wavelength region of 0.1 to 2.0 microns was obtained for particles with a radius of 0.1 micron and m equal to 1.3 - 0.2i. Inclusion of the changes in the refractive index in the vacuum ultraviolet region due to the strong absorptions of methane, ammonia and water does not appreciably alter these results. Theoretical extinction curves for the composite medium of H2O, NH3, CH4, and graphite show a general agreement with the observed interstellar reddening curve over the whole spectral range, in addition to producing kinks in the far-ultraviolet region.

Swamy, K. S. K.↗
NASA NTRS1971

Stark-effect modulation of a CO2 laser by NH2D.

Use of the molecular Stark effect in NH2D to modulate the 10.6-micron P(20) line of a CO2 laser, yielding a modulation depth of 40% from a 200-V/cm rms signal applied to a 19.7-cm gas cell external to the laser. NH2D was prepared by mixing ND3 and NH3. The absorption coefficient of the M = 4 Stark-split line was measured as a function of mixing ratio and pressure. The observed pressure-broadening coefficient was 32.5 MHz/torr.

Johnston, A. R.↗
NASA NTRS1972

Photochemistry and lifetimes of interstellar molecules.

Quantitative discussion of the photochemistry and lifetime against photodecomposition of five interstellar molecules: H2CO, NH3, H2O, CH4, and CO. For the first four molecules, primary photochemical decomposition processes yielding atomic and molecular hydrogen are considered in addition to photoionization. The quantum yield for decomposition of these molecules is unity. For CO, only decomposition to ground-state carbon and oxygen atoms occur, but the quantum yield is not known and may be considerably less than unity. The radiation field in obscuring clouds is estimated, using an interstellar extinction curve for the Perseus region.

Stief, L. J.↗
NASA NTRS1971

Interstellar molecules and dense clouds.

Current knowledge of the interstellar medium is discussed on the basis of recent published studies. The subjects considered include optical identification of interstellar molecules, radio molecular lines, interstellar clouds, isotopic abundances, formation and disappearance of interstellar molecules, and interstellar probing techniques. Diagrams are plotted for the distribution of galactic sources exhibiting molecular lines, for hydrogen molecule, hydrogen atom and electron abundances due to ionization, for the densities, velocities and temperature of NH3 in the direction of Sagitarius B2, for the lower rotational energy levels of H2CO, and for temporal spectral variations in masing H2O clouds of the radio source W49. Future applications of the maser and of molecular microscopy in this field are visualized.

Rank, D. M.↗
NASA NTRS1972

Shapes and widths of ammonia lines collision-broadened by hydrogen.

Measurement of half-widths and shapes of several rotational lines in nu sub 2 bands of ammonia, collision-broadened by hydrogen. The measurements were made at room temperature with a spectral resolution of 0.15 per cm. Line intensities and self-broadened half-widths were also measured. From the line-intensity data, an estimate of S sub band = 600 plus or minus 30 per sq cm per atm has been derived for the absolute intensity of the pair of bands. Hydrogen-broadened half-widths of all the lines have been found to be equal to 0.075 plus or minus 0.004 per cm per atm. For all the lines measured, shapes of the lines in NH3-H2 collisions seem to conform to the super-Lorenz line shape proposed by Varanasi et al. (1972) for dipole quadrupole collisions.

Varanasi, P.↗
NASA NTRS1972

The composition of the Martian atmosphere - Minor constituents.

The Mariner 6 and 7 infrared spectrometers provided data which, in principle, determine upper limits on the possible atmospheric abundance of every gaseous substance that was undetected but which has recognized absorptions in the accessible spectral region, 1.9 to 14.4 microns. Through supporting laboratory determinations of curves of growth under pressure-broadening conditions appropriate to Mars, upper limits can be specified (expressed first in cm-atm, STP, for a vertical column and then in parts per million) for NO2, NH3, C3O2, SO2, OCS, NO, O3, CH4, N2O, HCL, HBr, and H2S. In addition, considerations of band contours, moments of inertia, and experimental absorption coefficients make it possible to place useful upper limits on 27 additional substances that were not detected and for which curves of growth have not been measured.

Horn, D.↗
NASA NTRS1972

Total absorption cross sections of several gases of aeronomic interest at 584 A.

Total photoabsorption cross sections have been measured at 584.3 A for N2, O2, Ar, CO2, CO, NO, N2O, NH3, CH4, H2, and H2S. A monochromator was used to isolate the He I 584 line produced in a helium resonance lamp, and thin aluminum filters were used as absorption cell windows, thereby eliminating possible errors associated with the use of undispersed radiation or windowless cells. Sources of error are examined, and limits of uncertainty are given. Previous relevant cross-sectional measurements and possible error sources are reviewed. Wall adsorption as a source of error in cross-sectional measurements has not previously been considered and is discussed briefly.

Starr, W. L.↗
NASA NTRS1972

Nature and Origin of Cometary Heads

In cometary spectra the three major constituents seem to be OH, H, and O. Their common precursor is likely to be water, whose rates of evaporation and dissociation have so far not led to a major discrepancy with the observations. This type of explanation, however, has not led to a positive identification of other parent molecules. With the known solar intensities, all the molecules that have been suggested, as NH3, CH4, etc, would lead to lifetimes one-to-two orders of magnitude larger than needed by the coma observations. An alternate hypothesis is that the precursors are not molecules, but icy particles stripped from the nucleus by the evaporating gases. By evaporating within an icy halo, the grains would liberate either parent molecules with very short lifetimes or some of the radicals themselves. Recent laboratory work suggests that the grains could be made of clathrate hydrates of gases or of radicals. The observations appear to indicate the presence of icy grains within the inner coma.

Delsemme, A. H.↗
NASA NTRS1972

Density and optical properties of SPARCS plumes

Propellant gases emitted by attitude control systems such as SPARCS (Solar Pointing Aerobee Rocket Control System) and possible interference with experiments aboard the payloads are discussed. The optical properties of seven actual and potential gases emitted by propellant systems (CF4, N2H4, NH3, N2, CO2, Ar, and He) are presented. A compilation of absorption coefficients from 1 Angstrom to 50 microns and a summary of fluorescent spectra and efficiencies are provided. Since Freon-14 (CF4) is of primary importance to SPARCS, an experimental search for the fluorescent spectrum of CF4 was performed by exciting the gas with 920 Angstrom UV photons. The result was compared with an electron impact induced spectrum of CF4, and conclusions drawn about the nature of the radiating species. A detailed study of the CF4 flow fields and plume densities for typical SPARCS controlled payloads was made using gas dynamic codes which included the effects of vehicle shading and condensation. The importance of the optical properties of CF4 plumes was investigated and it is concluded that absorption is negligible but fluoresence may be significant in some cases.

Brown, W. A.↗
NASA NTRS1972

Toxic Hazards Research Unit annual technical report, 1972

The activities of the Toxic Hazards Research Unit (THRU) for the period of June 1971 through May 1972 are reviewed in this report. Acute inhalation toxicity experiments were conducted on hydrogen chloride (HCl) gas and aerosol, ethyl bromide (C2H5Br), hydrogen bromide (HBr), hydrogen sulfide (H2S), ammonia (NH3), chlorine (CL2), and silane (SiH4). Subacute toxicity studies were conducted on chlorine pentafluoride (ClF5), dichloromethane (CH2Cl2) and coal tar volatiles. Further toxicity studies of subacute and chronic responses to inhaled monomethylhydrazine (MMH) are also described.

Macewen, J. D.↗
NASA NTRS1973

Equilibrium concentrations of N2H4 and its decomposition products at elevated temperatures and pressures

Liquid hydrazine is considered as a convenient source of hydrogen rather than just as a rocket fuel. For such purposes, the hydrogen is usually obtained by passing the hydrazine through a heated catalytic bed. One convenient measure of the effectiveness of a catalytic decomposition device as a whole is to compare the quantity of hydrogen produced with the equilibrium concentration of the gaseous species N2H4, NH3, N3, and H2 which would exist at the temperature and pressure found in various parts of the device. Calculations of the concentrations were carried out and are reported here. Following presentation of the results in both tabular and graphical forms is a comparison between the computed equilibrium concentrations and available experimental data.

Smetana, F. O.↗
NASA NTRS1973

Operation of small rocket engines in the JPL high-vacuum molecular space simulator (Molsink)

The feasibility of operating small rocket engines in the Molsink facility was demonstrated. A 0.44-N (0.1-lbf) hydrazine engine and a 0.18-N (0.04-lbf) thruster using cold gas from a hydrazine plenum system were operated for both flight duty cycles and off-nominal conditions. The exhaust gases from these thrusters contain NH3, N2, and H2. The chamber was also calibrated for larger bipropellant engines using nitrogen tetroxide/monomethyl hydrazine (NTO/MMH). The exhaust products of these engines contain CO2, CO, H2, H2O, and H2. A mixture of cold gases simulating the engine exhaust was injected through a nozzle under conditions simulating thrust levels up to 26.7-N (6 lbf). Pulsing and continuous operations were investigated. The chamber background pressure traces were compared with the traces obtained for the same thrusters operated with pure nitrogen at approximately equivalent thrust. Satisfactory recuperation times were encountered in all the pulsing modes. Test times greater than 20s were obtained in steady state operation before the vacuum chamber back pressure climbed to prohibitive values.

Chirivella, J. E.↗
NASA NTRS1973

Infrared spectra of the Galilean satellites of Jupiter.

Spectra of the four Galilean satellites from 1 to 4 microns were obtained with a Michelson interferometer. The spectra show that the albedo of Io is quite flat and shows no absorptions in the region observed. Europa and Ganymede have large amounts of water ice on their surface. Callisto shows some faint ice absorptions. Upper limits of 0.5 cm-atm (STP) corresponding to .00000006 atm partial surface pressure were set for CH4 and NH3 on all four satellites.

Fink, U.↗
NASA NTRS1972

Thermal radio emission from Jupiter and Saturn.

Microwave brightness temperature calculations have been carried out for a number of model atmospheres for Jupiter and Saturn. The models considered are characterized by helium to hydrogen number mixing ratios which range from 0 to 0.2. Gaseous ammonia is assumed to be a trace constituent in all the models. The ammonia abundance below the (NH3) cloud level is a free parameter which is determined by comparing the observed thermal spectrum of Jupiter and the total spectrum of Saturn with the model calculations. The theoretical microwave spectra corresponding to those models in which the ammonia abundance is that expected from an atmosphere containing a solar abundance of elements are found to be in generally good agreement with the observations.

Gulkis, S.↗