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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Linking Remotely Sensed Aerosol Types to Their Chemical Composition

Aerosol types measured during the Ship-Aircraft Bio-Optical Research (SABOR) experiment are related to GEOS-Chem model chemical composition. The application for this procedure to link model chemical components to aerosol type is desirable for understanding aerosol evolution over time. The Mahalanobis distance (DM) statistic is used to cluster model groupings of five chemical components (organic carbon, black carbon, sea salt, dust and sulfate) in a way analogous to the methods used by Burton et al. [2012] and Russell et al. [2014]. First, model-to-measurement evaluation is performed by collocating vertically resolved aerosol extinction from SABOR High Spectral Resolution LiDAR (HSRL) to the GEOS-Chem nested high-resolution data. Comparisons of modeled-to-measured aerosol extinction are shown to be within 35% +/- 14%. Second, the model chemical components are calculation into five variables to calculate the DM and cluster means and covariances for each HSRL-retrieved aerosol type. The layer variables from the model are aerosol optical depth (AOD) ratios of (i) sea salt and (ii) dust to total AOD, mass ratios of (iii) total carbon (i.e. sum of organic and black carbon) to the sum of total carbon and sulfate (iv) organic carbon to black carbon, and (v) the natural log of the aerosol-to-molecular extinction ratio. Third, the layer variables and at most five out of twenty SABOR flights are used to form the pre-specified clusters for calculating DM and to assign an aerosol type. After determining the pre-specified clusters, model aerosol types are produced for the entire vertically resolved GEOS-Chem nested domain over the United States and the model chemical component distributions relating to each type are recorded. Resulting aerosol types are Dust/Dusty Mix, Maritime, Smoke, Urban and Fresh Smoke (separated into 'dark' and 'light' by a threshold of the organic to black carbon ratio). Model-calculated DM not belonging to a specific type (i.e. not meeting a threshold probability) is termed an outlier and those DM values that can belong to multiple types (i.e. showing weak probability of belonging to a specific cluster) are termed as Overlap. MODIS active fires are overlaid on the model domain to qualitatively evaluate the model-predicted Smoke aerosol types.

Aerosol Types↗
NASA NTRS1988

Global impact of the Antarctic ozone hole: Simulations with a 3-D chemical transport model

A study of the Antarctic ozone hole was made with a 3-D chemical transport model using linearized photochemistry for ozone based on observed distribution. The tracer model uses the winds and convection from the GISS general circulation model (8 deg x 10 deg x 23 layers). A 3-year control run of the ozone distribution is compared with the observed climatology. In two experiments, a hypothetical Antarctic ozone hole is induced on October 1 and on November 1; the tracer model is integrated for 1 year with the standard linearized chemistry. The initial depletion, 90 percent of the O sub 3 poleward of 70 S between 25 and 180 mbar, amounts to about 5 percent of the total O sub 3 in the Southerm Hemisphere. As the vortex breaks down and the hole is dispersed, significant depletions to column ozone, of order 10 D.U., occur as far north as 36 S during Austral summer. One year later, about 25 percent of the original depletion remains, mostly below 100 mbar and poleward of 30 S. Details of the calculations are shown, along with a budget analysis showing the fraction of the hole filled in by photochemistry versus that transported into the troposhere.

Prather, Michael J.↗
NASA NTRS2002

An Intercomparison and Evaluation of Aircraft-Derived and Simulated CO from Seven Chemical Transport Models During the TRACE-P Experiment

Four global scale and three regional scale chemical transport models are intercompared and evaluated during NASA's TRACE-P experiment. Model simulated and measured CO are statistically analyzed along aircraft flight tracks. Results for the combination of eleven flights show an overall negative bias in simulated CO. Biases are most pronounced during large CO events. Statistical agreements vary greatly among the individual flights. Those flights with the greatest range of CO values tend to be the worst simulated. However, for each given flight, the models generally provide similar relative results. The models exhibit difficulties simulating intense CO plumes. CO error is found to be greatest in the lower troposphere. Convective mass flux is shown to be very important, particularly near emissions source regions. Occasionally meteorological lift associated with excessive model-calculated mass fluxes leads to an overestimation of mid- and upper- tropospheric mixing ratios. Planetary Boundary Layer (PBL) depth is found to play an important role in simulating intense CO plumes. PBL depth is shown to cap plumes, confining heavy pollution to the very lowest levels.

Kiley, C. M.↗
NASA NTRS2003

Assessment of Models of Chemically Reacting Granular Flows

A report presents an assessment of a general mathematical model of dense, chemically reacting granular flows like those in fluidized beds used to pyrolize biomass. The model incorporates submodels that have been described in several NASA Tech Briefs articles, including "Generalized Mathematical Model of Pyrolysis of Biomass" (NPO-20068) NASA Tech Briefs, Vol. 22, No. 2 (February 1998), page 60; "Model of Pyrolysis of Biomass in a Fluidized-Bed Reactor" (NPO-20708), NASA Tech Briefs, Vol. 25, No. 6 (June 2001), page 59; and "Model of Fluidized Bed Containing Reacting Solids and Gases" (NPO- 30163), which appears elsewhere in this issue. The model was used to perform computational simulations in a test case of pyrolysis in a reactor containing sand and biomass (i.e., plant material) particles through which passes a flow of hot nitrogen. The boundary conditions and other parameters were selected for the test case to enable assessment of the validity of some assumptions incorporated into submodels of granular stresses, granular thermal conductivity, and heating of particles. The results of the simulation are interpreted as partly affirming the assumptions in some respects and indicating the need for refinements of the assumptions and the affected submodels in other respects.

Bellan, Josette↗
NASA NTRS1979

A model for chemical and isotopic fractionation in the lunar regolith by impact vaporization

Up until now there has been no complete model of chemical and isotopic fractionation effects which could occur in the lunar regolith as a result of hypervelocity impact vaporization. Previous work on the outlines for such a model are extended and show that impact vaporization could be an efficient mechanism for producing heavy isotope enrichments. Rough qualitative predictions based on the model show a general similarity to the observations on lunar samples.

Housley, R. M.↗
NASA NTRS2003

TOMS and SBUV Data: Comparison to 3D Chemical-Transport Model Results

We have updated our merged ozone data (MOD) set using the TOMS data from the new version 8 algorithm. We then analyzed these data for contributions from solar cycle, volcanoes, QBO, and halogens using a standard statistical time series model. We have recently completed a hindcast run of our 3D chemical-transport model for the same years. This model uses off-line winds from the finite-volume GCM, a full stratospheric photochemistry package, and time-varying forcing due to halogens, solar uv, and volcanic aerosols. We will report on a parallel analysis of these model results using the same statistical time series technique as used for the MOD data.

Stolarski, Richard S.↗
DOE OSTI2024

Improvement of mechanistic fuel-cladding chemical interaction modeling in BISON

This report describes work performed during FY2024 under the auspices of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to inform and improve mechanistic models of fuel-cladding chemical interaction (FCCI) in metallic fuel. For fuel-side FCCI, atomistic simulations were performed to determine the diffusivity of iron (Fe) in the $\alpha$ and $\gamma$ phases of uranium (U). A model of liquid penetration of cladding due to melting of the fuel-side FCCI region was updated to account for the finite size of the FCCI region, and the model was validated through comparison with tests performed in the Fuel Behavior Test Apparatus (FBTA). For cladding wastage formation, a reduced-order model was improved by comparison with a multi-scale mechanistic model to better quantify the ROM parameters.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2021

Thermal Systems Modeling of Chemical Integrated Power Source (CHIPS) to Survive Lunar Night Environments

This paper presents the results of the systems level thermal modeling for a conceptual Chemical Heat Integrated Power Source (CHIPS). This proposed system offers a combined thermal and electrical power source to support survival of spacecraft operating in extreme low temperature lunar environments, without the use of radioisotope-based sources. A conceptual design study has been completed for this system, that uses heat generated by an exothermic chemical reaction in place of radioisotope or electrical heat sources. The goal of the study was to evaluate the feasibility of such as system through thermodynamic and chemical analysis and thermal modeling, and to identify technology gaps to inform a technology development and maturation plan. The specific technical objectives focused on delivery of 90-100 Wth thermal power and 30-40 We electrical power for 336 hours to a representative Commercial Lunar Payload Services (CLPS) lander, to support lunar surface survival and limited operations through a lunar night. The total system mass was targeted at ≤50 kg. A highly exothermic chemical reaction system is used to generate on-board electrical power for spacecraft systems, and thermal power to maintain critical spacecraft/lander systems within their allowable flight temperature (AFTs). Based on the very high energy content of the chemical reaction system, a much higher amount of heat per unit mass can be delivered to the spacecraft, relative to a rechargeable lithium-ion battery and electrical heater(s). Since radioisotope heaters or generators are not used, the system will be orders of magnitude lower in cost than a radioisotope heating/power unit, without the attendant regulatory complexities. As part of the CHIPS concept, a fraction of the thermal power generated is converted to electrical power via an appropriate thermal-to-electric converter technology (such as a free piston Stirling converter or a thermoelectric generator module), to provide power to critical loads. This approach is ideally suited to support operation of commercial landers (e.g., via the CLPS program). In most cases, these landers are only designed to operate during a portion of the lunar day, with no provision for survival through the lunar night. By supporting lunar night survival, a mission can be extended through the lunar night and at least into another lunar day, thus turning a nominal eight-day mission into a 36-day mission. Therefore, the current system demonstration will focus on scalability to support at least 336 hours (one lunar night) of continuous thermal and electrical power generation. Although initially targeted to support lunar equatorial landings, the technology is extensible to missions at the lunar poles, other extreme environments in the Solar System or even air-independent applications on Earth (e.g., ocean exploration).

West, William↗
NASA NTRS1989

Analysis of an algae-based CELSS. Part 1: model development

A steady state chemical model and computer program have been developed for a life support system and applied to trade-off studies. The model is based on human demand for food and oxygen determined from crew metabolic needs. The model includes modules for water recycle, waste treatment, CO2 removal and treatment, and food production. The computer program calculates rates of use and material balance for food. O2, the recycle of human waste and trash, H2O, N2, and food production supply. A simple non-iterative solution for the model has been developed using the steady state rate equations for the chemical reactions. The model and program have been used in system sizing and subsystem trade-off studies of a partially closed life support system.

Models, Chemical↗
NASA NTRS2021

Thermal Systems Modeling of Chemical Heat Integrated Power Source (CHIPS) to Survive Lunar Night Environments

This paper presents the results of the systems level thermal modeling for a conceptual Chemical Heat Integrated Power Source (CHIPS). This proposed system offers a combined thermal and electrical power source to support survival of spacecraft operating in extreme low temperature lunar environments, without the use of radioisotope-based sources. A conceptual design study has been completed for this system, that uses heat generated by an exothermic chemical reaction in place of radioisotope or electrical heat sources. The goal of the study was to evaluate the feasibility of such a system through thermodynamic and chemical analysis and thermal modeling, and to identify technology gaps to inform a technology development and maturation plan. The specific technical objectives focused on delivery of 90 to 100 Wth thermal power and 30 to 40 We electrical power for 336 hours to a representative Commercial Lunar Payload Services (CLPS) lander, to support lunar surface survival and limited operations through a lunar night. The total system mass was targeted at ≤50 kg. A highly exothermic chemical reaction system is used to generate on-board electrical power for spacecraft systems, and thermal power to maintain critical spacecraft/lander systems within their allowable flight temperature (AFTs). Based on the very high energy content of the chemical reaction system, a much higher amount of heat per unit mass can be delivered to the spacecraft, relative to a rechargeable lithium-ion battery and electrical heater(s). Since radioisotope heaters or generators are not used, the system will be orders of magnitude lower in cost than a radioisotope heating/power unit, without the attendant regulatory complexities. As part of the CHIPS concept, a fraction of the thermal power generated is converted to electrical power via an appropriate thermal-to-electric converter technology (such as a free piston Stirling converter or a thermoelectric generator module), to provide power to critical loads. This approach is ideally suited to support operation of commercial landers (e.g., via the CLPS program). In most cases, these landers are only designed to operate during a portion of the lunar day, with no provision for survival through the lunar night. By supporting lunar night survival, a mission can be extended through the lunar night and at least into another lunar day, thus turning a nominal eight-day mission into a 36-day mission. Therefore, the current system demonstration will focus on scalability to support at least 336 hours (one lunar night) of continuous thermal and electrical power generation. Although initially targeted to support lunar equatorial landings, the technology is extensible to missions at the lunar poles, other extreme environments in the Solar System or even air-independent applications on Earth (e.g., ocean exploration).

West, William↗
NASA NTRS2006

The Effects of Lightning NO(x) Production during the July 21 EULINOX Storm studied with a 3-D Cloud-scale Chemical Transport Model

The July 21,1998 thunderstonn observed during the European Lightning Nitrogen Oxides Project (EULINOX) project was simulated using the three-dimensional Goddard Cumulus Ensemble (GCE) model. The simulation successfully reproduced a number of observed storm features including the splitting of the original cell into a southern cell which developed supercell characteristics, and a northern cell which became multicellular. Output from the GCE simulation was used to drive an offline cloud-scale chemical transport model which calculates tracer transport and includes a parameterization of lightning NO(x) production which uses observed flash rates as input. Estimates of lightning NO(x) production were deduced by assuming various values of production per intracloud and production per cloud-to-ground flash and comparing the results with in-cloud aircraft observations. The assumption that both types of flashes produce 360 moles of NO per flash on average compared most favorably with column mass and probability distribution functions calculated from observations. This assumed production per flash corresponds to a global annual lightning NOx source of 7 Tg N per yr. Chemical reactions were included in the model to evaluate the impact of lightning NO(x), on ozone. During the storm, the inclusion of lightning NOx in the model results in a small loss of ozone (on average less than 4 ppbv) at all model levels. Simulations of the chemical environment in the 24 hours following the storm show on average a small increase in the net production of ozone at most levels resulting from lightning NO(x), maximizing at approximately 5 ppbv per day at 5.5 km. Between 8 and 10.5 km, lightning NO(x) causes decreased net ozone production.

Ott, Lesley E.↗
NASA NTRS1984

Covalent bonding effect on the mean excitation energy of H2 with the local plasma model

Chemical bonding is taken into account explicitly in the determination of the mean excitation energy (I) for stopping power of H2 with the local plasma approximation by employing molecular electronic wave functions for H2 for the first time. This procedure leads to a new value for IH2 that is higher than all accepted experimental and theoretical values.

Kamaratos, E.↗
NASA NTRS1989

Time-resolved simplified chemical kinetics modelling using computational singular perturbation

A CO-CH4-air reaction system is used to demonstrate the computational singular perturbation (CSP) method for deriving time-resolved simplified chemical kinetics models. CSP provides a programmable algorithm to group the given collection of elementary reactions into reaction groups which are ordered according to their speed. The concept of Importance Index k(m)exp s is introduced: k(m)exp s is defined to be a number between 0 and 1 which measures the importance of the m-th reaction group to the s-th reactant and can readily be computed from data generated by CSP. It is suggested that the robustness of the solutions of the reaction system can be qualitatively assessed by inspecting the Importance Index data.

Lam, S. H.↗
NASA NTRS1956

Wind Tunnel Investigation at Low Speed of Aerodynamic Characteristics of Army Chemical Corps Model E-112 Bomblets with Span Chord Ratio of 2 - 1

An experimental investigation has been made in the Langley stability tunnel to determine the aerodynamic characteristics of the Army Chemical Corps model E-112 bomblets with span-chord ratio of 2:1. A detailed analysis has not been made; however, the results showed that all the models were spirally unstable and that a large gap between the model tips and end plates tended to reduce the instability.

Letko, W.↗
NASA NTRS2001

Iceland as a Model for Chemical Alteration on Mars

Subglacial volcanic activity on Iceland has led to the formation of a variety of silicate and iron oxide-rich alteration products that may serve as a model for chemical alteration on Mars. Multiple palagonitic tuffs, altered pillow lavas, hydrothermal springs and alteration at glacial run-off streams were observed during a recent field trip in Iceland. Formation of alteration products and ferrihydrite in similar environments on Mars may have contributed to the ferric oxide-rich surface material there. The spectral and chemical properties of Icelandic alteration products and ferrihydrites are presented here.

Bishop, Janice L.↗
NASA NTRS2016

Evaluation of UTLS Carbon Monoxide Simulations in GMI and GEOS-Chem Chemical Transport Models using Aura MLS Observations

This study evaluates the distribution and variation of carbon monoxide (CO) in the upper troposphere and lower stratosphere (UTLS) during 2004-2012 as simulated by two chemical transport models, using the latest version of Aura Microwave Limb Sounder (MLS) observations. The simulated spatial distributions, temporal variations and vertical transport of CO in the UTLS region are compared with those observed by MLS. We also investigate the impact of surface emissions and deep convection on CO concentrations in the UTLS over different regions, using both model simulations and MLS observations. Global Modeling Initiative (GMI) and GEOS-Chem simulations of UTLS CO both show similar spatial distributions to observations. The global mean CO values simulated by both models agree with MLS observations at 215 and 147 hPa, but are significantly underestimated by more than 40% at 100 hPa. In addition, the models underestimate the peak CO values by up to 70% at 100 hPa, 60% at 147 hPa and 40% at 215 hPa, with GEOS-Chem generally simulating more CO at 100 hPa and less CO at 215 hPa than GMI. The seasonal distributions of CO simulated by both models are in better agreement with MLS in the Southern Hemisphere (SH) than in the Northern Hemisphere (NH), with disagreements between model and observations over enhanced CO regions such as southern Africa. The simulated vertical transport of CO shows better agreement with MLS in the tropics and the SH subtropics than the NH subtropics. We also examine regional variations in the relationships among surface CO emission, convection and UTLS CO concentrations. The two models exhibit emission-convection- CO relationships similar to those observed by MLS over the tropics and some regions with enhanced UTLS CO.

spatial distribution↗