Results for “Chemistry diagnostics” — Page 4

NASA NTRS1990

Cassini atmospheric chemistry mapper. Volume 1. Investigation and technical plan

The Cassini Atmospheric Chemistry Mapper (ACM) enables a broad range of atmospheric science investigations for Saturn and Titan by providing high spectral and spatial resolution mapping and occultation capabilities at 3 and 5 microns. ACM can directly address the major atmospheric science objectives for Saturn and for Titan, as defined by the Announcement of Opportunity, with pivotal diagnostic measurements not accessible to any other proposed Cassini instrument. ACM determines mixing ratios for atmospheric molecules from spectral line profiles for an important and extensive volume of the atmosphere of Saturn (and Jupiter). Spatial and vertical profiles of disequilibrium species abundances define Saturn's deep atmosphere, its chemistry, and its vertical transport phenomena. ACM spectral maps provide a unique means to interpret atmospheric conditions in the deep (approximately 1000 bar) atmosphere of Saturn. Deep chemistry and vertical transport is inferred from the vertical and horizontal distribution of a series of disequilibrium species. Solar occultations provide a method to bridge the altitude range in Saturn's (and Titan's) atmosphere that is not accessible to radio science, thermal infrared, and UV spectroscopy with temperature measurements to plus or minus 2K from the analysis of molecular line ratios and to attain an high sensitivity for low-abundance chemical species in the very large column densities that may be achieved during occultations for Saturn. For Titan, ACM solar occultations yield very well resolved (1/6 scale height) vertical mixing ratios column abundances for atmospheric molecular constituents. Occultations also provide for detecting abundant species very high in the upper atmosphere, while at greater depths, detecting the isotopes of C and O, constraining the production mechanisms, and/or sources for the above species. ACM measures the vertical and horizontal distribution of aerosols via their opacity at 3 microns and, particularly, at 5 microns. ACM recovers spatially-resolved atmospheric temperatures in Titan's troposphere via 3- and 5-microns spectral transitions. Together, the mixing ratio profiles and the aerosol distributions are utilized to investigate the photochemistry of the stratosphere and consequent formation processes for aerosols. Finally, ring opacities, observed during solar occultations and in reflected sunlight, provide a measurement of the particle size and distribution of ring material. ACM will be the first high spectral resolution mapping spectrometer on an outer planet mission for atmospheric studies while retaining a high resolution spatial mapping capability. ACM, thus, opens an entirely new range of orbital scientific studies of the origin, physio-chemical evolution and structure of the Saturn and Titan atmospheres. ACM provides high angular resolution spectral maps, viewing nadir and near-limb thermal radiation and reflected sunlight; sounds planetary limbs, spatially resolving vertical profiles to several atmospheric scale heights; and measures solar occultations, mapping both atmospheres and rings. ACM's high spectral and spatial resolution mapping capability is achieved with a simplified Fourier Transform spectrometer with a no-moving parts, physically compact design. ACM's simplicity guarantees an inherent stability essential for reliable performance throughout the lengthy Cassini Orbiter mission.

Smith, William Hayden↗

NASA NTRS1983

Nickel-iron spherules in tektites - Non-meteoritic in origin

The concentrations of several diagnostic trace elements were determined in two comparatively large NiFe spherules extracted from tektites. The purpose of the study was to obtain some clues about the chemistry of the projectile that is presumed responsible for the formation of these tektites. However, the trace element pattern is distinctly terrestrial implying that the spherules are the result of in-situ reduction of the host rock and are not meteoritic in origin.

Ganapathy, R.↗

NASA NTRS2001

Plasma Reactor Modeling and Validation Experiments

Plasma processing is a key processing stop in integrated circuit manufacturing. Low pressure, high density plum reactors are widely used for etching and deposition. Inductively coupled plasma (ICP) source has become popular recently in many processing applications. In order to accelerate equipment and process design, an understanding of the physics and chemistry, particularly, plasma power coupling, plasma and processing uniformity and mechanism is important. This understanding is facilitated by comprehensive modeling and simulation as well as plasma diagnostics to provide the necessary data for model validation which are addressed in this presentation. We have developed a complete code for simulating an ICP reactor and the model consists of transport of electrons, ions, and neutrals, Poisson's equation, and Maxwell's equation along with gas flow and energy equations. Results will be presented for chlorine and fluorocarbon plasmas and compared with data from Langmuir probe, mass spectrometry and FTIR.

Meyyappan, M.↗

NASA NTRS2026

Thermochemically-Closed Sonic-Flow Inversion for Enthalpy and Temperature in Multispecies Arc-Jet Flows

A thermochemically-closed sonic-flow inversion framework (TSIF) is developed to infer bulk enthalpy and total temperature upstream of a choked nozzle in arc-jet flows. The formulation recasts a pressure-rise total enthalpy quantification technique as an inverse problem in characteristic-velocity c * space using measured mass flow rate, upstream total pressure, gas composition, and nozzle throat geometry as inputs. Unlike calorimetric energy-balance approaches or optical diagnostics, the method relies primarily on routinely measured facility quantities combined with explicit thermochemical closure. Thermochemical states are obtained using NASA’s open-source Chemical Equilibrium with Applications (CEA) code, enabling construction of a chemistry-consistent relation between characteristic velocity, total enthalpy, and total temperature under equilibrium or frozen assumptions. A discharge coefficient is self-calibrated using cold-flow (arc-off) operation data and applied to hot-flow (arc-on) measurements, enabling upstream losses to be accounted for without empirical correlations. The framework is applied to air, N 2 , and CO 2 –N 2 arc-jet flows and demonstrates expected trends for the inferred thermochemical states as function of arc power, specific energy input, mass-flow, heater configuration, and test gas. In the air limit, under equilibrium assumptions, the method recovers the classical high-enthalpy asymptotic correlation of Winovich with a mean residual of 4.4%, demonstrating compatibility with established sonic-flow scaling, while extending applicability to arbitrary multi-species mixtures and non-equilibrium chemistry. The framework provides a mixture-flexible methodology for determining bulk thermochemical states in modern arc-jet environments using routine facility pressure, mass-flow, gas-composition, and nozzle-geometry information together with a cold-flow calibration.

stagnation heat flux↗

NASA NTRS1990

Laboratory simulation of interstellar grain chemistry and the production of complex organic molecules

During the past 15 years considerable progress in observational techniques has been achieved in the middle infrared (5000 to 500 cm(-1), 2 to 20 microns m), the spectral region most diagnostic of molecular vibrations. Spectra of many different astronomical infrared sources, some deeply embedded in dark molecular clouds, are now available. These spectra provide a powerful probe, not only for the identification of interstellar molecules in both the gas solid phases, but also of the physical and chemical conditions which prevail in these two very different domains. By comparing these astronomical spectra with the spectra of laboratory ices one can determine the composition and abundance of the icy materials frozen on the cold (10K) dust grains present in the interior of molecular clouds. These grains and their ice mantles may well be the building blocks from which comets are made. As an illustration of the processes which can take place as an ice is irradiated and subsequently warmed, researchers present the infrared spectra of the mixture H2O:CH3OH:CO:NH3:C6H14 (100:50:10:10:10). Apart from the last species, the ratio of these compounds is representative of the simplest ices found in interstellar clouds. The last component was incorporated into this particular experiment as a tracer of the behavior of a non-aromatic hydrocarbon. The change in the composition that results from ultraviolet photolysis of this ice mixture using a UV lamp to simulate the interstellar radiation field is shown. Photolysis produces CO, CO2, CH4, HCO, H2CO, as well as a family of moderately volatile hydrocarbons. Less volatile carbonaceous materials are also produced. The evolution of the infrared spectrum of the ice as the sample is warmed up to room temperature is illustrated. Researchers believe that the changes are similar to those which occur as ice is ejected from a comet and warmed up by solar radiation. The warm-up sequence shows that the nitrile or iso-nitrile bearing compound produced during photolysis evaporates between 200 and 250K, suggesting that it is carried by a small molecular species. These molecules could be similar to the source material in Comet Halley that is ejected in grains into the coma, freed by sublimation, and photolyzed by solar radiation to produce the observed jets.

Allamandola, L. J.↗

NASA NTRS2026

Thermochemically-Closed Sonic-Flow Inversion for Enthalpy and Temperature in Multispecies Arc-Jet Flows

A thermochemically-closed sonic-flow inversion framework (TSIF) is developed to infer bulk enthalpy and total temperature upstream of a choked nozzle in arc-jet flows. The formulation recasts a pressure-rise total enthalpy quantification technique as an inverse problem in characteristic-velocity c * space using measured mass flow rate, upstream total pressure, gas composition, and nozzle throat geometry as inputs. Unlike calorimetric energy-balance approaches or optical diagnostics, the method relies primarily on routinely measured facility quantities combined with explicit thermochemical closure. Thermochemical states are obtained using NASA’s open-source Chemical Equilibrium with Applications (CEA) code, enabling construction of a chemistry-consistent relation between characteristic velocity, total enthalpy, and total temperature under equilibrium or frozen assumptions. A discharge coefficient is self-calibrated using cold-flow (arc-off) operation data and applied to hot-flow (arc-on) measurements, enabling upstream losses to be accounted for without empirical correlations. The framework is applied to air, N 2 , and CO 2 –N 2 arc-jet flows and demonstrates expected trends for the inferred thermochemical states as function of arc power, specific energy input, mass-flow, heater configuration, and test gas. In the air limit, under equilibrium assumptions, the method recovers the classical high-enthalpy asymptotic correlation of Winovich with a mean residual of 4.4%, demonstrating compatibility with established sonic-flow scaling, while extending applicability to arbitrary multi-species mixtures and non-equilibrium chemistry. The framework provides a mixture-flexible methodology for determining bulk thermochemical states in modern arc-jet environments using routine facility pressure, mass-flow, gas-composition, and nozzle-geometry information together with a cold-flow calibration.

inviscid theory↗

NASA NTRS2017

Chemistry Simulations using the MERRA-2 Reanalysis with the GMI CTM and Replay in Support of the Atmospheric Composition Community

Simulations using reanalysis meteorological fields have long been used to understand the causes of atmospheric composition change in the recent past. Using the new MERRA-2 reanalysis, we are conducting chemistry simulations to create products covering 1980-2016 for the atmospheric composition community. These simulations use the Global Modeling Initiative (GMI) chemical mechanism in two different models: the GMI Chemical Transport Model (CTM) and the GEOS-5 model in Replay mode. Replay mode means an integration of the GEOS-5 general circulation model that is incrementally adjusted each time step toward the MERRA-2 reanalysis. The GMI CTM is a 1 deg x 1.25 deg simulation and the MERRA-2 GMI Replay simulation uses the native MERRA-2 grid of approximately 1/2 deg horizontal resolution on the cubed sphere. A specialized set of transport diagnostics is included in both runs to better understand trace gas transport and its variability in the recent past.

MERRA-2↗

NASA NTRS2016

Chemistry Simulations Using MERRA-2 Reanalysis with the GMI CTM and Replay in Support of the Atmospheric Composition Community

Simulations using reanalyzed meteorological conditions have been long used to understand causes of atmospheric composition change over the recent past. Using the new Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA-2) meteorology, chemistry simulations are being conducted to create products covering 1980-2016 for the atmospheric composition community. These simulations use the Global Modeling Initiative (GMI) chemical mechanism in two different models: the GMI Chemical Transport Model (CTM) and the GEOS-5 model developed Replay mode. Replay mode means an integration of the GEOS-5 general circulation model that is incrementally adjusted each time step toward the MERRA-2 analysis. The GMI CTM is a 1 x 1.25 simulation and the MERRA-2 GMI Replay simulation uses the native MERRA-2 approximately horizontal resolution on the cubed sphere. The Replay simulations is driven by the online use of key MERRA-2 meteorological variables (i.e. U, V, T, and surface pressure) with all other variables calculated in response to those variables. A specialized set of transport diagnostics is included in both runs to better understand trace gas transport and changes over the recent past.

Chemistry-Climate Model↗

NASA NTRS1990

Analysis of observations of the middle atmosphere from satellites

Satellite data are being used to investigate problems in middle atmosphere chemistry and dynamics. Efforts have been focused primarily on studies to determine the quality of observed distributions of trace species and derived dynamical quantities. Those data have been used as diagnostics for model-derived constituent profiles and fields and for improving our understanding of some of the fundamental processes occurring in the middle atmosphere. Temperatures and derived winds from Nimbus 7 Limb Infrared Monitoring of the Stratosphere (LIMS) data were compared with long-time series of rawinsonde data at Invercargill, New Zealand, and Berlin, West Germany, and the results are excellent for both quantities. It was also demonstrated that more highly-derived dynamical quantities can be obtained reliably from those LIMS fields. Furthermore, both the diabatic and residual-mean circulations derived using LIMS data agree qualitatively with changes in the distribution of trace species determined independently with the Nimbus 7 SAMS and LIMS experiments. Subsequently, an examination of LIMS data at mid to high latitudes of the Southern Hemisphere has revealed a synoptic-scale, upper stratospheric instability during late autumn that is associated with the development of the stratospheric polar jet. Investigation of this phenomenon continues with Stratospheric Sounding Unit (SSU) data sets.

Remsberg, Ellis E.↗

NASA NTRS1992

NASA's upper atmosphere research satellite: A program to study global ozone change

The Upper Atmosphere Research Satellite (UARS) is a major initiative in the NASA Office of Space Science and Applications, and is the prototype for NASA's Earth Observing System (EOS) planned for launch in the 1990s. The UARS combines a balanced program of experimental and theoretical investigations to perform diagnostic studies, qualitative model analysis, and quantitative measurements and comparative studies of the upper atmosphere. UARS provides theoretical and experimental investigations which pursue four specific research topics: atmospheric energy budget, chemistry, dynamics, and coupling processes. An international cadre of investigators was assembled by NASA to accomplish those scientific objectives. The observatory, its complement of ten state of the art instruments, and the ground system are nearing flight readiness. The timely UARS program will play a major role in providing data to understand the complex physical and chemical processes occurring in the upper atmosphere and answering many questions regarding the health of the ozone layer.

Luther, Michael R.↗

NASA NTRS1999

Regional Studies and Applications with a Variable Resolution Stretched Grid Data Assimilation System

The variable resolution stretched grid (SG) version of the Goddard Earth Observing System (GEOS) Data Assimilation System (DAS) incorporating the GEOS SG-GCM, is used for regional analysis, forecast, and climate applications. The region of interest with enhanced horizontal resolution, mostly used in experiments, is a rectangle over the U.S. The SG-DAS is capable of reproducing regional mesoscale fields, patterns and diagnostics that are not produced by the medium uniform resolution run with the same amount of grid points as for the SG. The SG-DAS regional analyses and diagnostics are used for: validation of regional climate simulation experiments produced with the SG-GCM for the U.S. 1988 summer drought; and are planned to be used for atmospheric chemistry transport experiments. Also, a case study is conducted on a super-typhoon development in December 1997. The SG-DAS appears to be a viable candidate for a variety of regional studies and applications.

Fox-Rabinovitz, Michael↗

NASA NTRS1993

The atmospheric effects of stratospheric aircraft. Report of the 1992 Models and Measurements Workshop. Volume 3: Special diagnostic studies

This Workshop on Stratospheric Models and Measurements (M&M) marks a significant expansion in the history of model intercomparisons. It provides a foundation for establishing the credibility of stratospheric models used in environmental assessments of chlorofluorocarbons, aircraft emissions, and climate-chemistry interactions. The core of the M&M comparisons involves the selection of observations of the current stratosphere (i.e., within the last 15 years): these data are believed to be accurate and representative of certain aspects of stratospheric chemistry and dynamics that the models should be able to simulate.

Prather, Michael J.↗

NASA NTRS2005

Pyroxene Spectroscopy: Effects of Major Element Composition on Near, Mid and Far-Infrared Spectra

Pyroxene is one of the most common minerals in both evolved and undifferentiated solid bodies of the solar system. Various compositions of pyroxene have been directly studied in meteorites and lunar samples and remotely observed by telescopic and orbital measurements of the moon, Mars, Mercury, and several classes of asteroids. Laboratory studies of pyroxene spectra have shown that absorption features diagnostic of pyroxene in both the near and mid infrared are composition dependent. The challenge for remote analyses has been to reduce the level of ambiguity to allow a quantitative assessment of mineral chemistry. This study focuses on the analysis of a comprehensive set of synthetic Ca-Fe-Mg pyroxenes from the visible through far-IR (0.3-50 m) to address the fundamental constraints of crystal structure on absorption.

Klima, R. L.↗

NASA NTRS2011

The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

Polycrystalline superconducting Nb thin films are extensively used for submillimeter and millimeter transmission line applications and, less commonly, used in microwave kinetic inductance detector (MKID) applications. The microwave and mm-wave loss in these films is impacted, in part, by the presence of surface nitrides and oxides. In this study, glancing incidence x-ray diffraction was used to identify the presence of niobium nitride and niobium monoxide surface layers on Nb thin films which had been exposed to chemicals used in standard photolithographic processing. A method of mitigating the presence of ordered niobium monoxide surface layers is presented. Furthermore, we discuss the possibility of using glancing incidence x-ray diffraction as a non-destructive diagnostic tool for evaluating the quality of Nb thin films used in MKIDs and transmission lines. For a given fabrication process, we have both the x-ray diffraction data of the surface chemistry and a measure of the mm-wave and microwave loss, the latter being made in superconducting resonators.

superconducting films↗

NASA NTRS2016

The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

Polycrystalline Nb thin films are extensively used for microwave kinetic inductance detectors (MKIDs) and superconducting transmission line applications. The microwave and mm-wave loss in these films is impacted, in part, by the presence of surface nitrides and oxides. In this study, glancing incidence x-ray diffraction was used to identify the presence of niobium nitride and niobium monoxide surface layers on Nb thin films which had been exposed to chemicals used in standard photolithographic processing. A method of mitigating the presence of ordered niobium monoxide surface layers is presented. Furthermore, we discuss the possibility of using glancing incidence x-ray diffraction as a non-destructive diagnostic tool for evaluating the quality of Nb thin films used in MKIDs and transmission lines. For a given fabrication process, we have both the X-ray diffraction data of the surface chemistry and a measure of the mm-wave and microwave loss, the latter being made in superconducting resonators.

superconducting films↗

NASA NTRS2016

The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

Polycrystalline Nb thin films are extensively used for microwave kinetic inductance detectors (MKIDs) and superconducting transmission line applications. The microwave and mm-wave loss in these films is impacted, in part, by the presence of surface nitrides and oxides. In this study, glancing incidence x-ray diffraction was used to identify the presence of niobium nitride and niobium monoxide surface layers on Nb thin films which had been exposed to chemicals used in standard photolithographic processing. A method of mitigating the presence of ordered niobium monoxide surface layers is presented. Furthermore, we discuss the possibility of using glancing incidence x-ray diffraction as a non-destructive diagnostic tool for evaluating the quality of Nb thin films used in MKIDs and transmission lines. For a given fabrication process, we have both the X-ray diffraction data of the surface chemistry and a measure of the mm-wave and microwave loss, the latter being made in superconducting resonators.

superconducting films↗

NASA NTRS1983

Cumulus cloud transport of transient tracers

A theoretical framework is developed for including cumulus cloud transport, rainout of water soluble gases, and aqueous phase chemistry into gas phase photochemical models. Cloud populations are represented as ensemble distributions of individual clouds of various heights. An individual cloud is represented as a one-dimensional, steady state plume with height-independent radius entraining air from the boundary of the cloud. The model is applied to several hypothetical atmospheric tracers to show how clouds may affect the tropospheric distributions of ozone, NO(y), SO2, peroxyacetylnitrate, hydrocarbons, and other gases. Although the numerical experiments were based on cloud mass fluxes from diagnostic studies in the tropics and thus are not representative of the entire globe, it was found that an increasing mixing ratio with height in the free troposphere can be produced for some gases with only a surface source when clouds are present. This suggests that some reactive tropospheric species with primarily surface sources may play a somewhat more important role in tropospheric chemistry than is presently believed depending on the global distribution of cloud mass fluxes. Deficiencies in existing photochemical models due to the way clouds are typically treated are discussed.

Gidel, L. T.↗

NASA NTRS1984

Modeling the middle atmosphere circulation

Some of the motivations for constructing models of the middle atmosphere circulation are given. These are as follows: (1) to provide a better understanding of middle atmosphere dynamics; (2) to study the coupling of middle atmosphere dynamics with radiation and chemistry; (3) to study the sensitivity of tropospheric climate modeling and/or weather forecasting to changes in the middle atmosphere; (4) to better understand the limitations of more simplified models; (5) to supply a proxy for atmospheric data for diagnostic analysis; and finally, (6) for forecast-analysis of data. Different types of models are discussed in relation to their anticipated use. Various model simplifications, such as using the quasi-geostrophic set of equations and simplified radiative transfer, are discussed as are some of the consequences of these simplifications. Some of the accomplishments of middle atmosphere circulation modeling are presented as are some of the difficulties in existing models. Finally, some of the problems in constructing and verifying middle atmosphere circulation models are discussed.

Geller, M. A.↗