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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
DOE OSTI2024

Role of chemical production and depositional losses on formaldehyde in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM)

Abstract. Formaldehyde (HCHO) is an important air pollutant with direct cancer risk and ozone-forming potential. HCHO sources are complex because HCHO is both directly emitted and produced from oxidation of most gas-phase reactive organic carbon. We update the secondary production of HCHO in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) in the Community Multiscale Air Quality (CMAQ) model. Production of HCHO from isoprene and monoterpenes is increased, correcting an underestimate in the current version. Simulated June–August surface HCHO during peak photochemical production (11:00–15:00 LT, local time) increased by 0.6 ppb (32 %) over the southeastern USA and by 0.2 ppb (13 %) over the contiguous USA. The increased HCHO compares more favorably with satellite-based observations from the TROPOspheric Monitoring Instrument (TROPOMI) and from aircraft-based observations. Evaluation against hourly surface observations indicates a missing nighttime sink that can be improved by increased nighttime deposition, which reduces June–August nocturnal (20:00–04:00 LT) surface HCHO by 1.1 ppb (36 %) over the southeastern USA and 0.5 ppb (29 %) over the contiguous USA. The ability of CRACMM to capture peak levels of HCHO at midday is improved, particularly at sites in the northeastern USA, while peak levels at sites in the southeastern USA are improved, although still lower than observed. Using established risk assessment methods, lifetime exposure of the population in the contiguous USA (∼ 320 million) to ambient HCHO levels predicted here may result in 6200 lifetime cancer cases, with 40 % from controllable anthropogenic emissions of nitrogen oxides and reactive organic compounds. Chemistry updates will be available in CRACMM version 2 (CRACMM2) in CMAQv5.5.

Skipper, T. Nash↗
NASA NTRS1990

A numerical method for parameterization of atmospheric chemistry - Computation of tropospheric OH

An efficient and stable computational scheme for parameterization of atmospheric chemistry is described. The 24-hour-average concentration of OH is represented as a set of high-order polynomials in variables such as temperature, densities of H2O, CO, O3, and NO(t) (defined as NO + NO2 + NO3 + 2N2O5 + HNO2 + HNO4) as well as variables determining solar irradiance: cloud cover, density of the overhead ozone column, surface albedo, latitude, and solar declination. This parameterization of OH chemistry was used in the three-dimensional study of global distribution of CH3CCl3. The proposed computational scheme can be used for parameterization of rates of chemical production and loss or of any other output of a full chemical model.

Spivakovsky, C. M.↗
NASA NTRS1978

Tropospheric ozone

Photochemical equilibrium models have been used to study the effect of recent revisions in important chemical reaction rates on the calculated tropospheric ozone concentration. Reasonable agreement with observed values is obtained if the NO(x) background is approximately 0.02 to 0.03 ppb, about an order of magnitude less than used in many previous model studies, but consistent with present nitrogen budget considerations and with observations of NO2. Chemical production and loss of ozone may dominate transport terms depending on values of key chemical rate constants and of the NO(x) background. This is consistent with the structure observed in the mean annual latitudinal distribution of ozone since ozone is its own chemical precursor and regions of enhanced stratosphere-troposphere exchange are also regions of enhanced photochemical activity.

Stewart, R. W.↗
NASA NTRS1994

Comparison of theories for gravity wave induced fluctuations in airglow emissions

A comparison is undertaken of theories for the gravity wave induced fluctuations in the intensity of airglow emissions and the associated temperature of the source region. The comparison is made in terms of Krassovsky's ratio eta(sub E) for a vertically extended emission region (eta(sub E) is the ratio of the vertically integrated normalized intensity perturbation to the vertically integrated intensity-weighted temperature perturbation). It is shown that the formulas for eta(sub E) in the works by Tarasick and Hines (1990) and Schubert et al. (1991) are in agreement for the case of an inviscid atmosphere. The calculation of eta(sub E) using the theory of Tarasick and Hines (1990) requires determination of their function chi; we show that chi is simply related to the 'single-level' Krassovsky's ratio eta of Schubert et al. (1991). The general relationship between chi and eta is applied to a simple chemical-dynamical model of the O2 atmospheric airglow and the altitude dependence of these quantities is evaluated for nonsteady state chemistry. Though the Tarasick and Hines (1990) formula for eta(sub E) does not explicitly depend on the scale heights of the minor constituents involved in airglow chemistry, eta(sub E) implicitly depends upon these scale heights through its dependences on chemical production and loss contained in chi. We demonstrate this dependence of eta(sub E) for the OH nightglow on atomic oxygen scale height by direct numerical evaluation of eta(sub E) in this case the dependence originates in the chemical production of perturbed ozone.

Walterscheid, R. L.↗
NASA NTRS2016

The Viability of Trajectory Analysis for Diagnosing Dynamical and Chemical Influences on Ozone Concentrations in the UTLS

The viability of trajectory analysis for diagnosing the interplay between chemistry and dynamics is investigated by comparing ozone mixing ratios modelled using air-parcel pathways to values observed along flight tracks during ATTREX (Airborne Tropical TRopopause EXperiment). Trajectories are initiated at the locations of ozone observations and tracked backward in time to their sources at termini of backward trajectories. The modelled values of ozone utilize 3-dimensional analysis fields from WACCM (Whole Atmosphere Community Climate Model) (a chemical-climate model with dynamical fields nudged towards MERRA (Modern-Era Retrospective Analysis and Research Applications) reanalysis) and ERA-interim (product of ECMWF - the European Centre for Medium-Range Weather Forecasts) to determine source mixing ratios with chemical production and loss terms derived from the ozone chemistry used in WACCM. A statistical base of modelled ozone is constructed with 6 trajectory platforms (adiabatic, diabatic, and kinematic forced by ERA-interim and MERRA), two chemical models (WACCM chemistry and no chemistry), and 4 trajectory lengths (5, 10, 20, and 30 days). Linear regression is employed to separate systematic errors from random errors and to characterize the impact of source mixing ratios, path length, vertical motion, and chemistry on modelled ozone errors. Errors in the analysis ozone fields are large, if not dominant, contributors to model error. Random errors are particularly large for point-by-point comparisons, however averaging over 800 km (75 minutes) flight segments substantially reduces random error and exposes systematic errors. Of the two analysis ozone data sets, WACCM, which incorporates detailed chemistry, provides the smaller systematic errors while ERA-interim, which has crude chemistry but assimilates observational data, has the smaller random errors. Of the different trajectory platforms, adiabatic calculations produce the smaller random errors (irrespective of the use of chemistry) but both vertical motion and chemistry are required to optimally reduce systematic errors. These results suggest that meaningful analysis of dynamical and chemical interactions that control ozone mixing ratios are viable on spatial scales larger than a few reanalysis grid spaces, that errors in the analyzed ozone data sets are large but not prohibitively so, and that vertical velocities and heating rates from reanalysis data, while problematic, contain useful information [on the ozone concentrations in the UTLS (Upper Troposphere/Lower Stratosphere)].

ozone↗
NASA NTRS1978

Reservoirs of atmospheric chlorine - Prospects for HOCl revisited

Possible effects of HOCl aeronomy in the terrestrial stratosphere are reexamined. Chemical kinetics data for HOCl are analyzed which are required in aeronomical studies, and the possible role of HOCl as a reservoir of atmospheric chlorine is evaluated. Chemical production and loss of HOCl in the stratosphere is considered, along with photolysis of HOCl and prospects for HOCl as an inert chlorine reservoir. It is shown that a recent theoretical calculation of the HOCl photodissociation cross section suggests this species as a possible significant reservoir of atmospheric chlorine, but that the theoretical calculations are in sharp disagreement with some experimental measurements. Laboratory and atmospheric experiments to clarify the uncertainties of HOCl aeronomy are proposed.

Prasad, S. S.↗
NASA NTRS1982

Prediction of corridor effect from the launching of the satellite power system

A diagnostic model is developed to define the parameters which control the corridor effect of contaminants deposited in a narrow latitudinal band of the earth's atmosphere by numerous launches of the STS and heavy lift launch vehicles for construction of satellite solar power systems. Identified factors included the pollution injection rate, the ambient background levels of the pollutant species, and the transport properties related to the dilution rate of the chemicals. If the chemical life of the pollutant was shorter or the same length of time as the transport time, alterations in the chemical production and loss rates were found to be parameters necessarily added to the model. A comparison with NASA Ames Research Center two-dimensional model results indicate that the corridor effect was possile with operations above 60 km in the case of H2O, H2, and NO production.

Borucki, W. J.↗
NASA NTRS1998

Use of an Existing Airborne Radon Data Base in the Verification of the NASA/AEAP Core Model

The primary objective of this project was to apply the tropospheric atmospheric radon (Rn222) measurements to the development and verification of the global 3-D atmospheric chemical transport model under development by NASA's Atmospheric Effects of Aviation Project (AEAP). The AEAP project had two principal components: (1) a modeling effort, whose goal was to create, test and apply an elaborate three-dimensional atmospheric chemical transport model (the NASA/AEAP Core model to an evaluation of the possible short and long-term effects of aircraft emissions on atmospheric chemistry and climate--and (2) a measurement effort, whose goal was to obtain a focused set of atmospheric measurements that would provide some of the observational data used in the modeling effort. My activity in this project was confined to the first of these components. Both atmospheric transport and atmospheric chemical reactions (as well the input and removal of chemical species) are accounted for in the NASA/AEAP Core model. Thus, for example, in assessing the effect of aircraft effluents on the chemistry of a given region of the upper troposphere, the model must keep track not only of the chemical reactions of the effluent species emitted by aircraft flying in this region, but also of the transport into the region of these (and other) species from other, remote sources--for example, via the vertical convection of boundary layer air to the upper troposphere. Radon, because of its known surface source and known radioactive half-life, and freedom from chemical production or loss, and from removal from the atmosphere by physical scavenging, is a recognized and valuable tool for testing the transport components of global transport and circulation models.

Kritz, Mark A.↗
NASA NTRS2021

Formaldehyde evolution in U.S. wildfire plumes during FIREX-AQ

Formaldehyde (HCHO) is one of the most abundant non-methane volatile organic compounds (VOCs) emitted by fires. HCHO also undergoes chemical production and loss as a fire plume ages, and it can be an important oxidant precursor. In this study, we disentangle the processes controlling HCHO by examining its evolution in wildfire plumes sampled by the NASA DC-8 during the FIREX-AQ field campaign. In nine of the twelve analyzed plumes, dilution-normalized HCHO increases with physical age (range 1 – 6 h). The balance of HCHO loss (mainly via photolysis) and production (via OH-initiated VOC oxidation) seems to control the sign and magnitude of this trend. Plume-average OH concentrations, calculated from VOC decays, range from –0.5 (± 0.5) × 10 6 to 5.3 (±0.7) × 10 6 cm -3 . The production and loss rates of dilution-normalized HCHO seem to decrease with plume age. Plume-to-plume variability in dilution-normalized secondary HCHO production correlates with OH abundance rather than normalized OH reactivity, suggesting that OH is the main driver of fire-to-fire variability in HCHO secondary production. Analysis suggests an effective HCHO yield of 0.33 (± 0.05) per VOC molecule oxidized for the 12 wildfire plumes. This finding can help connect space-based HCHO observations to the oxidizing capacity of the atmosphere and to VOC emissions.

Air quality↗
NASA NTRS2024

Assessing Acetone for the GISS ModelE2.1 Earth System Model

Acetone is an abundant volatile organic compound (VOC) in the atmosphere, with important influences on ozone and oxidation capacity. Direct sources include chemical production from other VOCs and anthropogenic emissions, terrestrial vegetation, biomass-burning emissions, and ocean production. Sinks include chemical loss, deposition onto the land surface, and ocean uptake. Acetone also has a lifetime that is long enough to allow transport and reactions with other compounds remote from its sources. The NASA Goddard Institute for Space Studies (GISS) Earth system model ModelE2.1 simulates a variety of Earth system interactions. Previously, acetone had a very simplistic representation in the ModelE chemical scheme. This study assesses a more sophisticated acetone scheme in which acetone is a full 3-dimensional tracer with explicit sources, sinks, and atmospheric transport. We first evaluate the new global acetone budget in the context of past literature. Estimated source and sink fluxes fall within the range of previous models, although total atmospheric burden and lifetime are at the lower end of the published literature. Acetone's new representation in ModelE2.1 also results in more realistic spatial and vertical distributions, which we compare against previous models and field observations. The seasonality of acetone-related processes was also studied in conjunction with field measurements, and these comparisons show promising agreement but also shortcomings at high-emission urban locations, where the model's resolution is too coarse to capture the true behavior. Finally, we conduct a variety of sensitivity studies that explore the influence of key parameters on the acetone budget and its global distribution. An impactful finding is that the production of acetone from precursor hydrocarbon oxidation has strong leverage on the overall chemical source, indicating the importance of accurate molar yields. Overall, our implementation is one that corroborates with previous studies and marks a significant improvement in the development of the acetone tracer in GISS ModelE2.1.

Acetone↗
NASA NTRS1981

Studies of the role of metastables and doubly ionized species in the chemical and thermal structure of the Venusian and Martian ionospheres

Models of the upper atmospheres of Mars and Venus were constructed using Viking and Pioneer Venus data. The neutral densities, with the exception of NO, N(4S), N(2D) and N(2P) were taken from the measured values, along with the neutral, ion, and electron temperatures. Using solar fluxes and relevant cross sections, the production rates of ions and neutral fragments by photo and electron impact processes were computed. These production rates were combined with chemical production rates and loss along with one dimensional transport eddy diffusion, molecular and ambi polar diffusion, and thermal diffusion, to determine the densities of ions and odd nitrogen species. Preliminary calculations show that the chemistry of metastables and doubly ionized species is important in the ionospheres of Mars and Venus. Production of N(+) in metastable reactions is particularly important, and it explains the discrepancy between the measurements of earlier models. Production of CO(+) is also affected. Reactions of O(++) and O(+)(2D) with N2 have important consequences for the escape rate of atomic nitrogen from the Martian atmosphere.

Fox, J. L.↗
NASA NTRS2015

GMI Capabilities

We describe the capabilities of the Global Modeling Initiative (GMI) chemical transport model (CTM) with a special focus on capabilities related to the Atmospheric Tomography Mission (ATom). Several science results based on GMI hindcast simulations and preliminary results from the ATom simulations are highlighted. We also discuss the relationship between GMI and GEOS-5.

modeling↗
NASA NTRS1994

Stationary premixed flames in spherical and cylindrical geometries

Stationary source-free spherical flames ('flame balls') in premixed combustible gases were studied by employing low-gravity (micro-g) environments in a drop tower and an aircraft flying parabolic trajectories to diminish the impact of buoyancy-induced convective flow. Flame balls were found in all mixture families tested when: (1) the Lewis number Le of the deficient reactant was sufficiently low; and (2) the compositions were sufficiently close to the flammability limits. Probably as a consequence of the reduction in buoyant convection, the flammability limits at micro-g were significantly more dilute than those at Earth gravity; for example, 3.35% H2 vs 4.0% H2 in lean H2-air mixtures. By comparison with analytical and computational models, it is inferred that the phenomenon is probably related to diffusive-thermal effects in low-Le mixtures in conjunction with flame-front curvature and radiative heat losses from the combustion products. The chemical reaction mechanism appears to play no qualitative role. In the aircraft experiments, the gravity levels (approximately equal 10(exp -2)g(sub 0)) were found to cause noticeable motion of flame balls due to buoyancy, which in turn influenced the behavior of flame balls. At these g levels, a new type of transient, nearly cylindrical flame structure, termed 'flame strings,' was observed.

Ronney, P. D.↗
NASA NTRS1990

Ionospheric chemical releases

Ionospheric plasma density irregularities can be produced by chemical releases into the upper atmosphere. F-region plasma modification occurs by: (1) chemically enhancing the electron number density; (2) chemically reducing the electron population; or (3) physically convecting the plasma from one region to another. The three processes (production, loss, and transport) determine the effectiveness of ionospheric chemical releases in subtle and surprising ways. Initially, a chemical release produces a localized change in plasma density. Subsequent processes, however, can lead to enhanced transport in chemically modified regions. Ionospheric modifications by chemical releases excites artificial enhancements in airglow intensities by exothermic chemical reactions between the newly created plasma species. Numerical models were developed to describe the creation and evolution of large scale density irregularities and airglow clouds generated by artificial means. Experimental data compares favorably with theses models. It was found that chemical releases produce transient, large amplitude perturbations in electron density which can evolve into fine scale irregularities via nonlinear transport properties.

Bernhardt, Paul A.↗
NASA NTRS2006

Ozone Production from the 2004 North American Boreal Fires

We examine the ozone production from boreal forest fires based on a case study of wildfires in Alaska and Canada in summer 2004. The model simulations were performed with the chemistry transport model, MOZART-4, and were evaluated by comparison with a comprehensive set of aircraft measurements. In the analysis we use measurements and model simulations of carbon monoxide (CO) and ozone (O3) at the PICO-NARE station located in the Azores within the pathway of North American outflow. The modeled mixing ratios were used to test the robustness of the enhancement ratio deltaO3/deltaCO (defined as the excess O3 mixing ratio normalized by the increase in CO) and the feasibility for using this ratio in estimating the O3 production from the wildfires. Modeled and observed enhancement ratios are about 0.25 ppbv/ppbv which is in the range of values found in the literature, and results in a global net O3 production of 12.9 2 Tg O3 during summer 2004. This matches the net O3 production calculated in the model for a region extending from Alaska to the East Atlantic (9-11 Tg O3) indicating that observations at PICO-NARE representing photochemically well-aged plumes provide a good measure of the O3 production of North American boreal fires. However, net chemical loss of fire related O3 dominates in regions far downwind from the fires (e.g. Europe and Asia) resulting in a global net O3 production of 6 Tg O3 during the same time period. On average, the fires increased the O3 burden (surface-300 mbar) over Alaska and Canada during summer 2004 by about 7-9%, and over Europe by about 2-3%.

Pfister, G. G.↗
NASA NTRS1984

Wet model of Saturn's ionosphere: Water from the rings

Current theoretical models of Saturn's ionosphere are difficult to reconcile with the ionospheric electron density profiles obtained from the Pioneer and Voyager radio occultation observations and the large diurnal variation of maximum ionospheric electron density deduced from studies of Saturn lightning discharges. A model of Saturn's ionosphere is proposed in which water plays a major role as a minor constituent present by virtue of downward diffusion from an external source. This model of the Saturn ionosphere is a classical 'F2' type layer resulting from the photodissociative production of H(+) from H2 and rapid chemical loss due to a series of charge exchange reactions with water. A planet-wide influx of about 4x10 to the 7th power molecules/sec/sq cm of water from the rings is consistent with the observed ionospheric electron densities and estimates of influx due to micrometeoride bombardment of the rings. An enhanced influx of water occurs at latitudes (-38 deg, +44 deg) magnetically connected to the inner edge of Saturn's B ring which results from an electromagnetic erosion process contributing substantially to the (local) upper atmosphere water content. Present day influx at these latitudes is possibly as large as 2x10 to the 9th power molecules/sec/sq cm.

Connerney, J. E. P.↗
NASA NTRS1984

New model of Saturn's ionosphere with an influx of water from the rings

A radically different model of Saturn's ionosphere is proposed in which water plays a major role as a minor constituent present by downward diffusion from an external source. The model ionosphere is a classical F2 type layer resulting from the photodissociative production of H(+) from H2 and rapid chemical loss by a series of charge exchange reactions with water. A planet-wide influx of about 4 x 10 to the 7th molecules/sq cm/s of water from the rings is consistent with the observed ionospheric electron densities. An enhanced influx of water occurs at latitudes (-38, +44 deg) connected magnetically at the inner edge of Saturn's B ring, where an electromagnetic erosion process takes place. The present-day influx at these latitudes may be as large as 2 x 10 to the 9th molecules/sq cm/s.

Connerney, J. E. P.↗