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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 217 records · Page 12

Composition of LHB Comets and Their Influence on the Early Earth Atmosphere Composition

Two main processes were responsible for the composition of this atmosphere: chemical evolution of the volatile fraction of the accretion material forming the planet and the delivery of gasses to the planetary surface by impactors during the late heavy bombardment (LHB). The amount and composition of the volatile fraction influences the outgassing of the Earth mantle during the last planetary formation period. A very weakened form of outgassing activity can still be observed today by examining the composition of volcanic gasses. An enlightenment of the second process is based on the sparse records of the LHB impactors resulting from the composition of meteorites, observed cometary comas, and the impact material found on the Moon. However, for an assessment of the influence of the outgassing on the one hand and the LHB event on the other, one has to supplement the observations with numerical simulations of the formation of volatiles and their incorporation into the accretion material which is the precursors of planetary matter, comets and asteroids. These simulations are performed with a combined hydrodynamic-chemical model of the solar nebula (SN). We calculate the chemical composition of the gas and dust phase of the SN. From these data, we draw conclusions on the upper limits of the water content and the amount of carbon and nitrogen rich volatiles incorporated later into the accretion material. Knowing these limits we determine the portion of major gas compounds delivered during the LHB and compare it with the related quantities of the outgassed species.

Tornow, C.↗

Three-dimensional modelling of trace species in the Arctic lower stratosphere

A three-dimensional radiative-dynamical-chemical model has been developed and used to study some aspects of modeling the polar lower stratosphere. The model includes a comprehensive gas-phase chemistry scheme as well as a treatment of heterogeneous reactions occurring on the surface of polar stratospheric clouds. Tracer transport is treated by an accurate, nondispersive scheme with little diffusion suited to the representation of strong gradients. Results from a model simulation of early February 1990 are presented and used to illustrate the importance of the model transport scheme. The model simulation is also used to examine the potential for Arctic ozone destruction and the relative contributions of the chemical cycles responsible.

Chipperfield, Martyn↗

Satellite-Surface Perspectives of Air Quality and Aerosol-Cloud Effects on the Environment: An Overview of 7-SEAS BASELInE

The objectives of 7-SEASBASELInE (Seven SouthEast Asian Studies Biomass-burning Aerosols and Stratocumulus Environment: Lifecycles and Interactions Experiment) campaigns in spring 2013-2015 were to synergize measurements from uniquely distributed ground-based networks (e.g., AERONET (AErosol RObotic NETwork)), MPLNET ( NASA Micro-Pulse Lidar Network)) and sophisticated platforms (e.g.,SMARTLabs (Surface-based Mobile Atmospheric Research and Testbed Laboratories), regional contributing instruments), along with satellite observations retrievals and regional atmospheric transport chemical models to establish a critically needed database, and to advance our understanding of biomass-burning aerosols and trace gases in Southeast Asia (SEA). We present a satellite-surface perspective of 7-SEASBASELInE and highlight scientific findings concerning: (1) regional meteorology of moisture fields conducive to the production and maintenance of low-level stratiform clouds over land; (2) atmospheric composition in a biomass-burning environment, particularly tracers-markers to serve as important indicators for assessing the state and evolution of atmospheric constituents; (3) applications of remote sensing to air quality and impact on radiative energetics, examining the effect of diurnal variability of boundary-layer height on aerosol loading; (4) aerosol hygroscopicity and ground-based cloud radar measurements in aerosol-cloud processes by advanced cloud ensemble models; and (5) implications of air quality, in terms of toxicity of nanoparticles and trace gases, to human health. This volume is the third 7-SEAS special issue (after Atmospheric Research, vol. 122, 2013; and Atmospheric Environment, vol. 78, 2013) and includes 27 papers published, with emphasis on air quality and aerosol-cloud effects on the environment. BASELInE observations of stratiform clouds over SEA are unique, such clouds are embedded in a heavy aerosol-laden environment and feature characteristically greater stability over land than over ocean, with minimal radar surface clutter at a high vertical spatial resolution. To facilitate an improved understanding of regional aerosol-cloud effects, we envision that future BASELInE-like measurement modeling needs fall into two categories: (1) efficient yet critical in-situ profiling of the boundary layer for validating remote-sensing retrievals and for initializing regional transport chemical and cloud ensemble models; and (2) fully utilizing the high observing frequencies of geostationary satellites for resolving the diurnal cycle of the boundary layerheight as it affects the loading of biomass-burning aerosols, air quality and radiative energetics.

AERONET↗

Application of thermodynamics to silicate crystalline solutions

A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.

Saxena, S. K.↗

A new source of ozone in the terrestrial upper atmosphere?

The simultaneous measurements of atomic O, O2, O3, and N2 between 90 and 110 km obtained by a rocket-borne mass spectrometer flown during the Aladdin 74 program provide an opportunity to test directly the simple atmosphperic chemical model first proposed more than 50 years ago by S. Chapman, which is today the core of the complex chemistry controlling stratospheric O3. The Aladdin 74 O3 results are found to be significantly in excess of model abundances computed using the most current values of the key chemical parameters. The calculations may possibly be in error due to uncertainties in these key parameters and/or in the measurement of the related species. However, the extra O3 may be a consequence of reactions between ground state O2 and electronically excited O2 resulting from the recombination of atomic O.

Allen, M.↗

Computational Fluid Dynamics Symposium on Aeropropulsion

Recognizing the considerable advances that have been made in computational fluid dynamics, the Internal Fluid Mechanics Division of NASA Lewis Research Center sponsored this symposium with the objective of providing a forum for exchanging information regarding recent developments in numerical methods, physical and chemical modeling, and applications. This conference publication is a compilation of 4 invited and 34 contributed papers presented in six sessions: algorithms one and two, turbomachinery, turbulence, components application, and combustors. Topics include numerical methods, grid generation, chemically reacting flows, turbulence modeling, inlets, nozzles, and unsteady flows.

Source record↗

A review of chemically reactive turbulent flow mixing mechanisms and a new design for a low NO(x) combustor

A review of chemically reactive flow analysis is presented. Key studies are reviewed. The approaches to modeling chemically reactive flows that are discussed are PDF, conserved PDF, conserved scalar, stochastic, and mixing length. Turbulent mixing mechanisms are also discussed and a model is formulated that could be used for optimizing non-premixed gas reacting systems. Consequently, a re-examination of the NO(x) reduction concepts for nonpremixed reactants are suggested together with two new designs for low NO(x) subsonic combustor research.

Mcbeath, Giorgio↗

A comprehensive model to determine the effects of temperature and species fluctuations on reaction rates in turbulent reacting flows

Reaction rates in turbulent, reacting flows are reviewed. Assumed probability density functions (pdf) modeling of reaction rates is being investigated in relation to a three variable pdf employing a 'most likely pdf' model. Chemical kinetic mechanisms treating hydrogen air combustion is studied. Perfectly stirred reactor modeling of flame stabilizing recirculation regions was used to investigate the stable flame regions for silane, hydrogen, methane, and propane, and for certain mixtures thereof. It is concluded that in general, silane can be counted upon to stabilize flames only when the overall fuel air ratio is close to or greater than unity. For lean flames, silane may tend to destabilize the flame. Other factors favoring stable flames are high initial reactant temperatures and system pressure.

Goldstein, D.↗

Thermal spectrum of Uranus - Implications for large helium abundance

An analysis of the infrared spectrum of Uranus' disk between 7 micrometers and 3 millimeters suggests a volume mixing ratio for helium in the atmosphere of 40 + or - 20 percent, more than for the sun, Jupiter, or Saturn. Alternative explanations require even more extreme assumptions regarding gas abundances or aerosol vertical distribution and spectral properties. The most serious difficulty with a model containing large amounts of helium is devising a credible evolutionary or chemical model explaining the absence or segregation of so much hydrogen.

Orton, G. S.↗

Estimating ionization states and continuum lowering from ab initio path integral Monte Carlo simulations for warm dense hydrogen

Warm dense matter (WDM) is an active field of research, with applications ranging from astrophysics to inertial confinement fusion. Ionization degree and continuum lowering are important quantities to understand how materials behave under these conditions, but can be difficult to diagnose since experimental campaigns are limited and often require model-dependent analysis. This is especially true for hydrogen, which has a comparably low scattering cross section, making high-quality data particularly difficult to obtain. Consequently, building equation of state tables often relies on simulations in combination with untested approximations to extract properties from experiments. Here, we investigate an approach for extracting the ionization potential depression and ionization degree—quantities which are otherwise not directly accessible from the physical model—from first-principles path integral Monte Carlo (PIMC) simulations utilizing a chemical model. In contrast to experimental measurements, where noise and nonequilibrium effects add to the uncertainty of the inferred parameters, PIMC simulations provide a clean signal with well-defined thermodynamic conditions. Comparisons against commonly used models show a qualitative agreement, but we find deviations primarily for the high-density and high-temperature cases. We also demonstrate the decreasing sensitivity of the dynamic structure factor with respect to both ionization and continuum lowering for increasing scattering angles in x-ray Thomson scattering experiments. Our work has important implications for the design of future experiments, but also offers qualitative understanding of structure factors and the imaginary-time correlation function obtained from first-principles quantum Monte Carlo simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Temperature and Distribution of Organic Molecules in the Inner Regions of T Tauri Disks

"High-resolution NIR spectroscopic observations of warm molecular gas emission from young circumstellar disks allow us to constrain the temperature and composition of material in the inner planet-forming region. By combining advanced data reduction algorithms with accurate modeling of the terrestrial atmospheric spectrum and a novel double-differencing data analysis technique, we have achieved very high-contrast measurements (S/N approx. 500-1000) of molecular emission at 3 microns. In disks around low-mass stars, we have achieved the first detections of emission from HCN and C2H2 at near-infrared wavelengths from several bright T Tauri stars using the CRIRES spectrograph on the Very Large Telescope and NIRSPEC spectrograph on the Keck Telescope. We spectrally resolve the line shape, showing that the emission has both a Keplerian and non-Keplerian component as observed previously for CO emission. We used a simplified single-temperature local thermal equilibrium (LTE) slab model with a Gaussian line profile to make line identifications and determine a best-fit temperature and initial abundance ratios, and we then compared these values with constraints derived from a detailed disk radiative transfer model assuming LTE excitation but utilizing a realistic temperature and density structure. Abundance ratios from both sets of models are consistent with each other and consistent with expected values from theoretical chemical models, and analysis of the line shapes suggests that the molecular emission originates from within a narrow region in the inner disk (R < 1 AU)."

Mandell, Avi↗

The NASA-Ames Research Center stratospheric aerosol model. 2. Sensitivity studies and comparison with observatories

Sensitivity tests were performed on a one-dimensional, physical-chemical model of the unperturbed stratospheric aerosols, and model calculations were compared with observations. The tests and comparisons suggest that coagulation controls the particle number mixing ratio, although the number of condensation nuclei at the tropopause and the diffusion coefficient at high altitudes are also important. The sulfur gas source strength and the aerosol residence time are much more important than the supply of condensation nuclei in establishing mass and large particle concentrations. The particle size is also controlled mainly by gas supply and residence time. In situ observations of the aerosols and laboratory measurements of aerosols, parameters that can provide further information about the physics and chemistry of the stratosphere and the aerosols found there are provided.

Toon, O. B.↗

Analytic models of the chemical evolution of galaxies

Techniques are described for constructing analytic models of the chemical evolution of galaxies subject to infall of metal-poor material onto a maturing disk. A class of linear models is discussed which takes the star-formation rate within a defined region to be proportional to the mass of interstellar gas within that region, and the instantaneous recycling approximation is adopted. The solutions are obtained by approximately matching the infall rate to parametrized familiies of functions for which the equations are exactly soluble. The masses, the primary and secondary metallicities, and the gas concentrations of radioactive chronometers can all then be analytically expressed. Surveys of galactic abundances in location and in time can be compared to the parameter spaces of the analytic representations.

Clayton, Donald D.↗

Identifying the Wide Diversity of Extraterrestrial Purine and Pyrimidine Nucleobases in Carbonaceous Meteorites

The lack of pyrimidine diversity in meteorites remains a mystery since prebiotic chemical models and laboratory experiments have predicted that these compounds can also be produced from chemical precursors found in meteorites. Here we report the detection of nucleobases in three carbonaceous meteorites using state-of-the-art analytical techniques optimized for small-scale quantification of nucleobases down to the range of parts per trillion (ppt). In addition to previously detected purine nucleobases in meteorites such as guanine and adenine, we identify various pyrimidine nucleobases such as cytosine, uracil, and thymine, and their structural isomers such as isocytosine, imidazole-4-carboxylic acid, and 6-methyluracil, respectively. Given the similarity in the molecular distribution of pyrimidines in meteorites and those in photon-processed interstellar ice analogues, some of these derivatives could have been generated by photochemical reactions prevailing in the interstellar medium and later incorporated into asteroids during solar system formation. This study demonstrates that a diversity of meteoritic nucleobases could serve as building blocks of DNA and RNA on the early Earth.

Yasuhiro Oba↗

Halogens and the Chemistry of the Free Troposphere

The role of halogens in both the marine boundary layer and the stratosphere has long been recognized, while their role in the free troposphere is often not considered in global chemical models. However, a careful examination of free-tropospheric chemistry constrained by observations using a full chemical data assimilation system shows that halogens do play a significant role in the free troposphere. In particular, the chlorine initiation of methane oxidation in the free troposphere can contribute more than 10%, and in some regions up to 50%, of the total rate of initiation. The initiation of methane oxidation by chlorine is particularly important below the polar vortex and in northern mid-latitudes. Likewise, the hydrolysis of BrONO2 alone can contribute more than 35% of the HNO3 production rate in the free-troposphere.

Lary, David John↗

Probabilistic Modeling of the Renal Stone Formation Module

The Integrated Medical Model (IMM) is a probabilistic tool, used in mission planning decision making and medical systems risk assessments. The IMM project maintains a database of over 80 medical conditions that could occur during a spaceflight, documenting an incidence rate and end case scenarios for each. In some cases, where observational data are insufficient to adequately define the inflight medical risk, the IMM utilizes external probabilistic modules to model and estimate the event likelihoods. One such medical event of interest is an unpassed renal stone. Due to a high salt diet and high concentrations of calcium in the blood (due to bone depletion caused by unloading in the microgravity environment) astronauts are at a considerable elevated risk for developing renal calculi (nephrolithiasis) while in space. Lack of observed incidences of nephrolithiasis has led HRP to initiate the development of the Renal Stone Formation Module (RSFM) to create a probabilistic simulator capable of estimating the likelihood of symptomatic renal stone presentation in astronauts on exploration missions. The model consists of two major parts. The first is the probabilistic component, which utilizes probability distributions to assess the range of urine electrolyte parameters and a multivariate regression to transform estimated crystal density and size distributions to the likelihood of the presentation of nephrolithiasis symptoms. The second is a deterministic physical and chemical model of renal stone growth in the kidney developed by Kassemi et al. The probabilistic component of the renal stone model couples the input probability distributions describing the urine chemistry, astronaut physiology, and system parameters with the physical and chemical outputs and inputs to the deterministic stone growth model. These two parts of the model are necessary to capture the uncertainty in the likelihood estimate. The model will be driven by Monte Carlo simulations, continuously randomly sampling the probability distributions of the electrolyte concentrations and system parameters that are inputs into the deterministic model. The total urine chemistry concentrations are used to determine the urine chemistry activity using the Joint Expert Speciation System (JESS), a biochemistry model. Information used from JESS is then fed into the deterministic growth model. Outputs from JESS and the deterministic model are passed back to the probabilistic model where a multivariate regression is used to assess the likelihood of a stone forming and the likelihood of a stone requiring clinical intervention. The parameters used to determine to quantify these risks include: relative supersaturation (RS) of calcium oxalate, citrate/calcium ratio, crystal number density, total urine volume, pH, magnesium excretion, maximum stone width, and ureteral location. Methods and Validation: The RSFM is designed to perform a Monte Carlo simulation to generate probability distributions of clinically significant renal stones, as well as provide an associated uncertainty in the estimate. Initially, early versions will be used to test integration of the components and assess component validation and verification (V&V), with later versions used to address questions regarding design reference mission scenarios. Once integrated with the deterministic component, the credibility assessment of the integrated model will follow NASA STD 7009 requirements.

kidney stones↗

Assimilating EOS-Aura OMI and MLS Data in GEOS-5

Data assimilation is a potentially powerful method of extracting the maximum amount of information from observed data by combining their information with models. in this application, we will use stratospheric ozone profiles retrieved from EOS MLS and total column amounts retrieved from OMI' along with the GEOS-5 GCM, that includes a representation of ozone chemistry and transport. The presentation will discuss how well we can derive tropospheric ozone column information in this system, including its sensitivity to model errors and some assumptions made in the assimilation system. We discuss also ozone structures in the tropopause region and their sensitivity to model resolution and other fact=ors. An important issue we examine is how much more information we obtain from ozone assimilation than from model studies using state of the art chemistry models - answering such questions helps determine how useful ozone assimilation really is, given our present capabilities in chemical modeling.

Pawson, Steven↗

Analysis of EUV Dayglow Spectra of Triton, Titan and Earth

We have constructed a coupled ion and neutral chemical model of the ionosphere and thermosphere of Titan. Along with density profiles of ions and minor neutrals, we have computed the heating rates and heating efficiencies for the neutrals and chemical heating rates and efficiencies for the ions. We find that the neutral heating efficiency in our standard model varies from about 30% near 800 km to 22% near 2000 km. The most important heating processes are neutral-neutral reactions and photodissociation. The ion chemical heating rates maximize at about 10 eV cm(sup -3) s(sup -1), and the corresponding ion heating efficiencies peak near 1000 km at about 0.6%.

Fox, Jane L.↗