Search NASA⌕ Search

SEARCH · Search NASA

Results for “Chemical tools”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

On the Issue of Excess Lower Stratospheric Subtropical Transport in GEOS-DAS

In recent years, data assimilation has become an indispensable tool for our understanding of the global features of meteorological variables. However, assessments of transport characteristics using trajectory related methods as well as chemical transport models (CTMs) show that results derived from assimilated (or analyzed) winds exhibit significantly larger mixing and entrainment rates compared to results derived from GCM winds, which are closer to results derived from observations (e.g., Douglass et al., 2002; Schoeberl et al., 2002). This discrepancy presents a serious challenge to our ability to understand and model global trace gas transport and distribution. We use the GEOS-DAS to explore this issue by examining how the process of data assimilation alters the dynamics of the underlying GCM and how this leads to the excess of lower stratospheric mixing and transport in the subtropics. In particular, we show that significant model biases in tropical winds necessitate large analysis increments. These increments directly force large subtropical regions of instability with negative PV gradient on the one hand, and generate excessive noise in the tropical wind fields on the other. The result is an excess of transport in the lower stratospheric subtropics.

Tan, Wei-Wu↗
NASA NTRS2023

Broader Impacts and Outreach Videos on Ocean Physics and Biogeochemistry

This is just a preliminary NF1676 in advance of filming for a project....A convergent team of experts in biology, chemistry, physics, engineering, mathematics, and computational modeling examine how dynamic and coupled phytoplankton-pathogen-particle-predator linkages coalesce to explain the observed high spatial variability in the efficiency of the export of particulate organic carbon (POC) to the deep ocean. They elucidate and quantify the linkages between viruses and ballast minerals to increase understanding of carbon cycling in the oceanic biological carbon pump and the impact of viruses within it. By providing knowledge than can be used to improve the parameterization of carbon export in Earth system models, the project will help reduce uncertainty in regional marine biogeochemical projections, potentially improving marine ecosystem and fisheries management on timescales from seasons to decades. The project includes activities that provide teaching resources and hands-on training to educators within a ‘Tools of Science’ program that provides a simple and succinct way to communicate the process of scientific research to students in a way that is useful to teachers. The project couples laboratory-based experiments on model host-virus-grazer systems with extensive field based observational and manipulative studies on natural populations of diatoms and coccolithophores, the two phytoplankton groups that account for most of the estimated particulate organic matter flux to the deep ocean. Experiments and measurements integrate diagnostic biological and chemical controls on infection and particle coagulation theory with microscale physics and grazing to quantify links to each hypothesized export mechanism under field-relevant turbulent conditions. Cutting-edge engineering and analytical tools are used to diagnose and track infection dynamics while characterizing and quantifying particle aggregation and disaggregation, mineral dissolution, sinking dynamics, grazing rates, and fecal pellet production at unprecedented resolution and under well-defined, microscale physical regimes. Field campaigns elucidate the relative efficiency of hypothesized mechanisms in stimulating POC export in natural blooms, while providing bulk and size-resolved estimates of POC flux.

Daniel B Whitt↗
NASA NTRS2010

Composition Changes After the "Halloween" Solar Proton Event: The High-Energy Particle Precipitation in the Atmosphere (HEPPA) Model Versus MIPAS Data Intercomparison Study

We have compared composition changes of NO, NO2, H2O2,O3, N2O, HNO3 , N2O5, HNO4, ClO, HOCl, and ClONO2 as observed by the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) on Envisat in the aftermath of the "Halloween" solar proton event (SPE) in October/November 2003 at 25-0.01 hPa in the Northern hemisphere (40-90 N) and simulations performed by the following atmospheric models: the Bremen 2D model (B2dM) and Bremen 3D Chemical Transport Model (B3dCTM), the Central Aerological Observatory (CAO) model, FinROSE, the Hamburg Model of the Neutral and Ionized Atmosphere (HAMMONIA), the Karlsruhe Simulation Model of the Middle Atmosphere (KASIMA), the ECHAM5/MESSY Atmospheric Chemistry (EMAC) model, the modeling tool for SO1ar Climate Ozone Links studies (SOCOL and SOCOLi), and the Whole Atmosphere Community Climate Model (WACCM4). The large number of participating models allowed for an evaluation of the overall ability of atmospheric models to reproduce observed atmospheric perturbations generated by SPEs, particularly with respect to NOS, and ozone changes. We have further assessed the meteorological conditions and their implications on the chemical response to the SPE in both the models and observations by comparing temperature and tracer (CH4 and CO) fields. Simulated SPE-induced ozone losses agree on average within 5% with the observations. Simulated NO(y) enhancements around 1 hPa, however, are typically 30% higher than indicated by the observations which can be partly attributed to an overestimation of simulated electron-induced ionization. The analysis of the observed and modeled NO(y) partitioning in the aftermath of the SPE has demonstrated the need to implement additional ion chemistry (HNO3 formation via ion-ion recombination and water cluster ions) into the chemical schemes. An overestimation of observed H2O2 enhancements by all models hints at an underestimation of the OH/HO2 ratio in the upper polar stratosphere during the SPE. The analysis of chlorine species perturbations has shown that the encountered differences between models and observations, particularly the underestimation of observed ClONO2 enhancements, are related to a smaller availability of ClO in the polar night region already before the SPE. In general, the intercomparison has demonstrated that differences in the meteorology and/or initial state of the atmosphere in the simulations causes a relevant variability of the model results, even on a short timescale of only a few days.

Funke, B.↗
NASA NTRS1994

Life support systems analysis and technical trades for a lunar outpost

The NASA/JPL life support systems analysis (LISSA) software tool was used to perform life support system analysis and technology trades for a Lunar Outpost. The life support system was modeled using a chemical process simulation program on a steady-state, one-person, daily basis. Inputs to the LiSSA model include metabolic balance load data, hygiene load data, technology selection, process operational assumptions and mission parameter assumptions. A baseline set of technologies has been used against which comparisons have been made by running twenty-two cases with technology substitutions. System, subsystem, and technology weights and powers are compared for a crew of 4 and missions of 90 and 600 days. By assigning a weight value to power, equivalent system weights are compared. Several less-developed technologies show potential advantages over the baseline. Solid waste treatment technologies show weight and power disadvantages but one could have benefits associated with the reduction of hazardous wastes and very long missions. Technology development towards reducing the weight of resupplies and lighter materials of construction was recommended. It was also recommended that as technologies are funded for development, contractors should be required to generate and report data useful for quantitative technology comparisons.

Ferrall, J. F.↗
NASA NTRS1998

Mars Mission Design Handbook: 2009-2024 Opportunities

A Mars Mission Design Handbook which is designed for a Human Mars Mission for 2009-2024 is presented in viewgraph form. Mission architecture, Piloted Design Reference Mission (DRM) trajectory, tools used, departure energies, Earth-Mars 2013/14 trajectories, reduced piloted mission durations, velocity losses, piloted total time of flight trades, and all-chemical configurations are outlined.

George, Lynnane↗
NASA NTRS2000

Development and Application of Computational/In Vitro Toxicological Methods for Chemical Hazard Risk Reduction of New Materials for Advanced Weapon Systems

The development of quantitative structure-activity relationship (QSAR) is essential for reducing the chemical hazards of new weapon systems. The current collaboration between HEST (toxicology research and testing), MLPJ (computational chemistry) and PRS (computational chemistry, new propellant synthesis) is focusing R&D efforts on basic research goals that will rapidly transition to useful products for propellant development. Computational methods are being investigated that will assist in forecasting cellular toxicological end-points. Models developed from these chemical structure-toxicity relationships are useful for the prediction of the toxicological endpoints of new related compounds. Research is focusing on the evaluation tools to be used for the discovery of such relationships and the development of models of the mechanisms of action. Combinations of computational chemistry techniques, in vitro toxicity methods, and statistical correlations, will be employed to develop and explore potential predictive relationships; results for series of molecular systems that demonstrate the viability of this approach are reported. A number of hydrazine salts have been synthesized for evaluation. Computational chemistry methods are being used to elucidate the mechanism of action of these salts. Toxicity endpoints such as viability (LDH) and changes in enzyme activity (glutahoione peroxidase and catalase) are being experimentally measured as indicators of cellular damage. Extrapolation from computational/in vitro studies to human toxicity, is the ultimate goal. The product of this program will be a predictive tool to assist in the development of new, less toxic propellants.

Frazier, John M.↗
NASA NTRS2019

Mars Atmospheric Chemistry Simulations with the GEM-Mars General Circulation Model

General Circulation Models with interactive physical and chemistry processes are the state-of-the-art tools for an integrated view and understanding of the Martian atmosphere and climate system. The GEM-Mars model currently includes 16 tracers for chemical composition and applies a fully online, interactive calculation of the photo- and gas phase chemistry of carbon dioxide (CO2) and water vapor (H2O). These species largely control the chemical composition of the neutral Mars atmosphere through their photolysis products and their subsequent interactions. Water vapor undergoes a complex cycle on Mars as it is transported and interacts with ice reservoirs both at the planet's surface and at water ice clouds, which in turn provide radiative feedbacks. In the photochemical cycles involving CO2 and H2O, the abundances of 5 species have been reported by previous investigations with significant spatio-temporal coverage: CO2, H2O, CO, O3 and H2O2. This paper presents the current status of the atmospheric chemistry simulations in GEM-Mars by comparing them to a selection of these observational datasets as well as to oxygen dayglow emission from O2(a1∆g). The results are consistent with previous model-data comparisons and illustrate that the water cycle and the photochemistry are well implemented in the model. In particular, the simulation of the key reservoir species H2O2 provides a good match to the available data. Model-data biases for ozone columns and oxygen airglow are related to the simulated water vapor vertical profile, as these species have important column contributions from vertical layers at the top of the hygropause.

F Daerden↗
NASA NTRS2015

No-Oven, No-Autoclave Composite Processing

Very large composite structures, such as those used in NASA's Space Launch System, push the boundaries imposed by current autoclaves. New technology is needed to maintain composite performance and free manufacturing engineers from the restraints of curing equipment size limitations. Recent efforts on a Phase II project by Cornerstone Research Group, Inc. (CRG), have advanced the technology and manufacturing readiness levels of a unique two-part epoxy resin system. Designed for room-temperature infusion of a dry carbon preform, the system includes a no-heat-added cure that delivers 350 F composite performance in a matter of hours. This no-oven, no-autoclave (NONA) composite processing eliminates part-size constraints imposed by infrastructure and lowers costs by increasing throughput and reducing capital-specific, process-flow bottlenecks. As a result of the Phase II activity, NONA materials and processes were used to make high-temperature composite tooling suitable for further production of carbon-epoxy laminates and honeycomb/ sandwich-structure composites with an aluminum core. The technology platform involves tooling design, resin infusion processing, composite part design, and resin chemistry. The various technology elements are combined to achieve a fully cured part. The individual elements are not unusual, but they are combined in such a way that enables proper management of the heat generated by the epoxy resin during cure. The result is a self-cured carbon/ epoxy composite part that is mechanically and chemically stable at temperatures up to 350 F. As a result of the successful SBIR effort, CRG has launched NONA Composites as a spinoff subsidiary. The company sells resin to end users, fabricates finished goods for customers, and sells composite tooling made with NONA materials and processes to composite manufacturers.

Rauscher, Michael D.↗
NASA NTRS2010

Thermal Infrared Emission Spectroscopy of Synthetic Allophane and its Potential Formation on Mars

Allophane is a poorly-crystalline, hydrous aluminosilicate with variable Si/Al ratios approx.0.5-1 and a metastable precursor of clay minerals. On Earth, it forms rapidly by aqueous alteration of volcanic glass under neutral to slightly acidic conditions [1]. Based on in situ chemical measurements and the identification of alteration phases [2-4], the Martian surface is interpreted to have been chemically weathered on local to regional scales. Chemical models of altered surfaces detected by the Mars Exploration Rover Spirit in Gusev crater suggest the presence of an allophane-like alteration product [3]. Thermal infrared (TIR) spectroscopy and spectral deconvolution models are primary tools for determining the mineralogy of the Martian surface [5]. Spectral models of data from the Thermal Emission Spectrometer (TES) indicate a global compositional dichotomy, where high latitudes tend to be enriched in a high-silica material [6,7], interpreted as high-silica, K-rich volcanic glass [6,8]. However, later interpretations proposed that the high-silica material may be an alteration product (such as amorphous silica, clay minerals, or allophane) and that high latitude surfaces are chemically weathered [9-11]. A TIR spectral library of pure minerals is available for the public [12], but it does not contain allophane spectra. The identification of allophane on the Martian surface would indicate high water activity at the time of its formation and would help constrain the aqueous alteration environment [13,14]. The addition of allophane to the spectral library is necessary to address the global compositional dichotomy. In this study, we characterize a synthetic allophane by IR spectroscopy, X-ray diffraction (XRD), and transmission electron microscopy (TEM) to create an IR emission spectrum of pure allophane for the Mars science community to use in Martian spectral models.

Rampe, E. B.↗
NASA NTRS1972

Electro-chemical grinding

Electro-chemical grinding technique has rotation speed control, constant feed rates, and contour control. Hypersonic engine parts of nickel alloys can be almost 100% machined, keeping tool pressure at virtual zero. Technique eliminates galling and permits constant surface finish and burr-free interrupted cutting.

Feagans, P. L.↗
NASA NTRS1980

Gas bearings

The present work deals with the fundamentals of gas lubrication theory, which forms the foundation of all analytical design tools for gas bearings. Most of the hard lessons learned in the past are outlined with reference to dry contact, debris ingestion, sliding speed, and chemical stability of lubricant. The mathematical theory of gas lubrication is described for scaling rules in thin-film viscous flow, momentum conservation, mass conservation, energy conservation, isothermal gas bearing theory, coupling effects, and global bearing characteristics. Particular attention is given to the governing differential equations for common bearing configurations. Also discussed are representative solutions of self-acting gas bearings, externally pressurized bearings, and time-dependent effects.

Pan, C. H. T.↗
NASA NTRS2005

Computing Q-D Relationships for Storage of Rocket Fuels

The Quantity Distance Measurement Tool is a GIS BASEP computer program that aids safety engineers by calculating quantity-distance (Q-D) relationships for vessels that contain explosive chemicals used in testing rocket engines. (Q-D relationships are standard relationships between specified quantities of specified explosive materials and minimum distances by which they must be separated from persons, objects, and other explosives to obtain specified types and degrees of protection.) The program uses customized geographic-information-system (GIS) software and calculates Q-D relationships in accordance with NASA's Safety Standard For Explosives, Propellants, and Pyrotechnics. Displays generated by the program enable the identification of hazards, showing the relationships of propellant-storage-vessel safety buffers to inhabited facilities and public roads. Current Q-D information is calculated and maintained in graphical form for all vessels that contain propellants or other chemicals, the explosiveness of which is expressed in TNT equivalents [amounts of trinitrotoluene (TNT) having equivalent explosive effects]. The program is useful in the acquisition, siting, construction, and/or modification of storage vessels and other facilities in the development of an improved test-facility safety program.

Jester, Keith↗
NASA NTRS2020

Flight Readiness of Mochii ISS-NL Portable Spectroscopic Electron Microscope

Electron microscopes (EM’s), are workhorse tools serving diverse fields such as materials science, biological science, and engineering. Scanning EM’s (SEM’s) in particular enable high magnification study and pinpoint chemical analyses of structures down to the nanoscale by providing a powerful blend of strong optical scattering, high native resolution, large depth of focus, and energy-dispersive X-ray spectroscopy (EDS). Mochii is the world’s smallest production electron microscope, scheduled to travel to the International Space Station (ISS) this spring where it will serve as an ISS National Laboratory (ISSNL) microgravity facility on successful demonstration. We previously reported on progress preparing Mochii for space flight, in particular flight integration verifications and science application testing. These included standard integration testing such as electromagnetic interference and flight vibration, and extend to unique functional testing such as magnetic susceptibility and extreme analog environment testing under the sea. Presently, Mochii payload flight hardware has completed testing and was handed over to NASA’s ISS payload processing facility in Houston. It will make its way to the the east coast for launch currently scheduled on Space-X CRS-20 for Mission increment 62 in March 2020.

Own, C. S.↗
NASA NTRSDate not supplied

Integrated In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) connects individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. MATLAB was favorable to use as the main software integration tool due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of technologies, including but not limited to, the water processing Lunar Auger Dryer for ISRU (LADI) system and an oxygen extraction carbothermal reduction process. With individual models consolidated, the MAIT tool generated over 60,000 cases during its parametric sweeps; these system iterations produced valuable insight into the optimal LADI geometry for minimizing heater energy demands, estimating carbothermal reactor and radiator mass relationships, and calculated the power dynamics of the electrolysis unit. Efforts to update the MAIT tool are ongoing to accommodate and scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy, and increase the MAIT software capability to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗
NASA NTRSDate not supplied

In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) was previously developed with MATLAB in FY22 to connect individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. Beginning in FY24, MAIT was leveraged and evolved using MATLAB/Simulink due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of ISRU-related technologies, including the water processing Lunar Auger Dryer for ISRU (LADI) system with integrated upstream excavation and downstream electrolysis subsystems. With individual models consolidated, the MAIT tool generated over 60,000 cases during its parametric sweeps; these system iterations produced valuable insight into the optimal LADI geometry for minimizing energy demands, estimating carbothermal reactor and radiator mass relationships, and calculated the power dynamics of the electrolysis unit. Advanced efforts with advanced models will include examining multiple production targets to demonstrate the ability to scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy, and increase the MAIT software capability to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗
NASA NTRSDate not supplied

In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) was previously developed with MATLAB in FY22 to connect individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. Beginning in FY24, MAIT was updated and became the capital program in the Systems Engineering and Integration (SE&I) ISRU Modeling and Analysis (SIMA) project. Prior work was leveraged and evolved using MATLAB/Simulink due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of ISRU-related technologies, including the water processing Lunar Auger Dryer for ISRU (LADI) system with integrated upstream excavation and downstream electrolysis subsystems. With individual models consolidated, the MAIT tool generated over 5,000 cases during its first round of parametric sweeps on the water processing architecture at multiple production targets; the system analysis produced valuable insight into the optimal LADI geometry that minimized energy demands, estimated effects to cold trap size and radiator requirements, and calculated the power dynamics of the electrolysis unit and liquid oxygen storage volume. Additional efforts are being made to demonstrate the ability to scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy and increase the MAIT software capability. Work is ongoing to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗
NASA NTRSDate not supplied

In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) was previously developed with MATLAB in FY22 to connect individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. Beginning in FY24, MAIT was updated and became the capital program in the Systems Engineering and Integration (SE&I) ISRU Modeling and Analysis (SIMA) project. Prior work was leveraged and evolved using MATLAB/Simulink due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of ISRU-related technologies, including the water processing Lunar Auger Dryer for ISRU (LADI) system with integrated upstream excavation and downstream electrolysis subsystems. With individual models consolidated, the MAIT tool generated over 5,000 cases during its first round of parametric sweeps on the water processing architecture at multiple production targets; the system analysis produced valuable insight into the optimal LADI geometry that minimized energy demands, estimated effects to cold trap size and radiator requirements, and calculated the power dynamics of the electrolysis unit and liquid oxygen storage volume. Additional efforts are being made to demonstrate the ability to scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy and increase the MAIT software capability. Work is ongoing to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗
NASA NTRS1989

The role of computerized modeling and simulation in the development of life support system technologies

Computerized modeling and simulation (CMAS) is a tool that can greatly reduce both the time and cost of technology development. CMAS refers to computer methods for correlating, storing, and retrieving property data for chemical species and for solving the phenomenological equations of physical/chemical processes. Furthermore, process conditions based on properties of materials, mass, and energy balances; equipment sizing based on rate processes; and the governing equations for unit operations can be determined using CMAS. CMAS systems can be used to evaluate an LSS process with minimal requirements for laboratory experimentation. A CMAS model is presented for a vapor compression distillation system(VCD) for reclaiming water from urine.

Modell, Michael↗