Search NASA⌕ Search

SEARCH · Search NASA

Results for “Chemical transport model”

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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Shuttle atmospheric lidar research program

The Shuttle atmospheric lidar program is discussed in relation to an understanding of the processes governing the Earth's atmosphere and in the capacity to evaluate the atmospheric susceptibility to manmade and natural perturbations. Applications of the lidar which are discussed are the determination of the global flow of water vapor and pollutants in the troposphere, improvement of chemical and transport models of the stratosphere and mesosphere, evaluation of radiative models of the atmosphere, investigation of chemistry and transport of thermospheric atomic species, and investigation of magnetospheric aspects of sun/weather relationships. The features of the lidar measurements discussed are the high spatial resolution, control of the source wavelength and intensity, and high measurement specificity.

Source record↗
NASA NTRS1987

The potential impact on atmospheric ozone and temperature of increasing trace gas concentrations

The response of the atmosphere to emission of chlorofluorocarbons and other chlorocarbons and to increasing concentrations of other radiatively active trace gases is calculated using a coupled, one-dimensional, time-dependent chemical-radiative-transport model. The model predicts future changes in the ozone content and in the temperature based on several possible time-dependent scenarios of future atmospheric emissions. The sensitivity of the atmospheric responses to the values adopted for parameters such as the eddy diffusion coefficient for vertical transport and the atmospheric budget of nitrogen oxides is estimated and discussed.

Brasseur, Guy↗
NASA NTRS1994

An investigation of the processes controlling ozone in the upper stratosphere

Photolysis of vibrationally excited oxygen produced by ultraviolet photolysis of ozone in the upper stratosphere is incorporated into the Lawrence Livermore National Laboratory 2-D zonally averaged chemical-radiative-transport model of the troposphere and stratosphere. The importance of this potential contributor of odd oxygen to the concentration of ozone is evaluated based upon recent information on vibrational distributions of excited oxygen and upon preliminary studies of energy transfer from the excited oxygen. When the energy transfer rate constants of previous work are assumed, increases in model ozone concentrations of up to 40 percent in the upper stratosphere are found, and the ozone concentrations of the model agree with measurements, including data from the Upper Atmosphere Research Satellite. However, the increase is about 0.4 percent when the larger energy transfer rate constants suggested by more recent experimental work are applied in the model. This indicates the importance of obtaining detailed information on vibrationally excited oxygen properties to evaluation of this process for stratospheric modelling.

Patten, Kenneth O., Jr.↗
NASA NTRS1994

Effect of vibrationally excited oxygen on ozone production in the stratosphere

Photolysis of vibrationally excited oxygen produced by ultraviolet photolysis of ozone in the upper stratosphere is incorporated into the Lawrence Livermore National Laboratory two-dimensional zonally averaged chemical-radiative-transport model of the troposphere and stratosphere. The importance of this potential contributor of odd oxygen to the concentration of ozone is evaluated based on recent information on vibrational distributions of excited oxygen and on preliminary studies of energy transfer from the excited oxygen. When energy transfer rate constants similar to those of Toumi et al. (1991) are assumed, increases in model ozone concentrations of up to 4.0% in the upper stratosphere are found, and the model ozone concentrations are found to agree slightly better with measurements, including recent data from the Upper Atmosphere Research Satellite. However, the ozone increase is only 0.3% when the larger energy transfer rate constants indicated by recent experimental work are applied to the model. An ozone increase of 1% at 50 km requires energy transfer rate constants one-twentieth those of the preliminary observations. As a result, vibrationally excited oxygen processes probably do not contribute enough ozone to be significant in models of the upper stratosphere.

Patten, K. O., Jr.↗
NASA NTRS2024

High-Resolution Mapping of Nitrogen Oxide Emissions in Large US Cities From TROPOMI Retrievals of Tropospheric Nitrogen Dioxide Columns

Satellite-derived spatiotemporal patterns of nitrogen oxide (NO x ) emissions can improve accuracy of emission inventories to better support air quality and climate research and policy studies. In this study, we develop a new method by coupling the chemical transport Model-Independent SATellite-derived Emission estimation Algorithm for Mixed-sources (MISATEAM) with a divergence method to map high-resolution NO x emissions across US cities using TROPOspheric Monitoring Instrument (TROPOMI) tropospheric nitrogen dioxide (NO 2 ) retrievals. The accuracy of the coupled method is validated through application to synthetic NO 2 observations from the NASA-Unified Weather Research and Forecasting (NU-WRF) model, with a horizontal spatial resolution of 4 km × 4 km for 33 large and mid-size US cities. Validation reveals excellent agreement between inferred and NU-WRF-provided emission magnitudes (R= 0.99, normalized mean bias, NMB = −0.01) and a consistent spatial pattern when comparing emissions for individual grid cells (R=0.88 ± 0.06). We then develop a TROPOMI-based database reporting annual emissions for 39 US cities at a horizontal spatial resolution of 0.05° × 0.05° from 2018 to 2021. This database demonstrates a strong correlation (R= 0.90) with the National Emission Inventory (NEI) but reveals some bias (NMB = −0.24). There are noticeable differences in the spatial patterns of emissions in some cities. Our analysis suggests that uncertainties in TROPOMI-based emissions and potential misallocation of emissions and/or missing sources in bottom-up emission inventories both contribute to these differences.

NOx emissions↗
NASA NTRS1989

A review of reaction rates and thermodynamic and transport properties for the 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

Reaction rate coefficients and thermodynamic and transport properties are provided for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in such environments.

Gupta, Roop N.↗
NASA NTRS1990

A review of reaction rates and thermodynamic and transport properties for an 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

Reaction rate coefficients and thermodynamic and transport properties are reviewed and supplemented for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium up to temperatures of 3000 K. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Curve fits are given for the various species properties for their efficient computation in flowfield codes. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in a high energy environment. Limitations of the approximate mixing laws are discussed for a mixture of ionized species. An electron number-density correction for the transport properties of the charged species is obtained. This correction has been generally ignored in the literature.

Gupta, Roop N.↗
DOE OSTI2025

A simplified CFD approach for modeling mass transport in catalytic open-cell foams

A simplified macroscopic CFD approach is presented to model mass transport including chemical reactions in washcoated open-cell foams. The foam is treated as a porous medium. Species conversion during chemical reactions is modeled using appropriate source terms based on reaction rate expressions and modified to account for the mass transport resistances occurring at the fluid-washcoat interfaces and within the washcoat layers. As example, the catalytic CO oxidation over platinum is studied. The simulation results show good agreement with experimental data from literature. A parametric study on washcoat parameters, such as thickness, tortuosity, porosity, and size, is carried out. Increasing the washcoat thickness from 5 to 100 µm or decreasing the tortuosity to porosity ratio from 5 to 20 decreases the CO conversion by 10 %. The proposed model is found to be reliable and has the advantage of lower computational cost, making it a suitable tool for foam-based catalytic reactor design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Quantification of the Impact of Acidified Brine on Fracture-Matrix Transport in a Naturally Fractured Shale Using in Situ Imaging and Modeling

Understanding flow, transport, chemical reactions, and hydromechanical processes in fractured geologic materials is key for optimizing a range of subsurface processes including carbon dioxide and hydrogen storage, unconventional energy resource extraction, and geothermal energy recovery. Flow and transport processes in naturally fractured shale rocks have been challenging to characterize due to experimental complexity and the multiscale nature of quantifying continuum scale descriptions of mass exchange between micrometer-scale fractures and nanometer-scale pores. In this study, we use positron emission tomography (PET) to image the transport of a conservative tracer in a naturally fractured Wolfcamp shale core before and after the core was exposed to low pH brine conditions. Image-based experimental observations are interpreted by fitting an analytical transport model to fracture-containing voxels in the core. Results of this analysis indicate subtle increases in matrix diffusivity and a slightly more uniform fracture velocity distribution following exposure to low pH conditions. These observations are compared with a multicomponent one-dimensional reactive transport model that indicates the capacity for a 10% increase in porosity at the fracture-matrix interface as a result of the low pH brine exposure. This porosity change is the result of the dissolution of carbonate minerals in the shale matrix to low pH conditions. Further, this image-based workflow represents a new approach for quantifying spatially resolved fracture-matrix transport processes and provides a foundation for future work to better understand the role of coupled transport, reaction, and mechanical processes in naturally fractured rocks.

58 GEOSCIENCES↗
NASA NTRS1990

Stratospheric chemistry and transport

A Chemical Tracer Model (CTM) that can use wind field data generated by the General Circulation Model (GCM) is developed to implement chemistry in the three dimensional GCM of the middle atmosphere. Initially, chemical tracers with simple first order losses such as N2O are used. Successive models are to incorporate more complex ozone chemistry.

Prather, Michael↗
NASA NTRS1977

A two-dimensional model for the transport of pollutants in an urban basin

The distribution of carbon monoxide emitted mainly from an automobile exhaust is investigated. Carbon monoxide is assumed to be chemically inert. The transport model, in analogy with the shallow-water theory in fluid dynamics, considers variation of all physical quantities in the horizontal direction below the temperature inversion layer. Pollutants are found to be carried primarily by the wind; turbulent diffusion in a normal day plays only a minor role. The concentration of CO predicted by the present model for the entire Los Angeles basin is compared with observed data at nine stations. Accuracy of four different numerical schemes, the effect of turbulent diffusivity, and the source strengths are examined.

Liu, C. Y.↗
NASA NTRS2008

CALIPSO Satellite Lidar Identification Of Elevated Dust Over Australia Compared With Air Quality Model PM60 Forecasts

Global measurements of the vertical distribution of clouds and aerosols have been recorded by the lidar on board the CALIPSO (Cloud Aerosol Lidar Infrared Pathfinder Satellite Observations) satellite since June 2006. Such extensive, height-resolved measurements provide a rare and valuable opportunity for developing, testing and validating various atmospheric models, including global climate, numerical weather prediction, chemical transport and air quality models. Here we report on the initial results of an investigation into the performance of the Australian Air Quality Forecast System (AAQFS) model in forecasting the distribution of elevated dust over the Australian region. The model forecasts of PM60 dust distribution are compared with the CALIPSO lidar Vertical Feature Mask (VFM) data product. The VFM classifies contiguous atmospheric regions of enhanced backscatter as either cloud or aerosols. Aerosols are further classified into six subtypes. By comparing forecast PM60 concentration profiles to the spatial distribution of dust reported in the CALIPSO VFM, we can assess the model s ability to predict the occurrence and the vertical and horizontal extents of dust events within the study area.

Young, Stuart A.↗
DOE OSTI2021

Microstructural changes and mass transport in cement-based materials: A modeling approach

Highlights: • Concept to relate microstructural changes, mass transport, and chemical reactions in cement-based materials is presented. • Multi-physics modeling approach utilizing an extended version of the PNP equation and the geochemical code IPHREEQC. • Case studies indicate significant changes in mass transport properties due to alterations in the microstructure. • Microstructural changes depend on exposure and interactions between chemical reactions, pore structure, and mass transport. A generic modeling framework is presented to relate microstructural changes, i.e. changes in the pore volume distribution and phase assemblage, and mass transport in cement-based materials. The modeling framework accounts for mass transport and chemical equilibrium between ions in the pore solution and solid hydrates by means of an extended version of the Poisson-Nernst-Planck equation, in which the chemical equilibrium is solved by the external geochemical code IPHREEQC. Results of numerical studies concerning carbonation and leaching of a cement-based material indicate significant changes in mass transport properties due to chemical reactions leading to alterations in the microstructure. The resulting highly non-linear (both spatial and temporal) microstructural changes are thereby depending on the exposure and indicate that interactions between chemical reactions, pore structure changes, and mass transport have to be accounted for as a whole.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Conservation equations and physical models for hypersonic air flows in thermal and chemical nonequilibrium

The conservation equations for simulating hypersonic flows in thermal and chemical nonequilibrium and details of the associated physical models are presented. These details include the curve fits used for defining thermodynamic properties of the 11 species air model, curve fits for collision cross sections, expressions for transport properties, the chemical kinetics models, and the vibrational and electronic energy relaxation models. The expressions are formulated in the context of either a two or three temperature model. Greater emphasis is placed on the two temperature model in which it is assumed that the translational and rotational energy models are in equilibrium at the translational temperature, T, and the vibrational, electronic, and electron translational energy modes are in equilibrium at the vibrational temperature, T sub v. The eigenvalues and eigenvectors associated with the Jacobian of the flux vector are also presented in order to accommodate the upwind based numerical solutions of the complete equation set.

Peter A. Gnoffo↗
NASA NTRS1985

Fluid Dynamics and Thermodynamics of Vapor Phase Crystal Growth

The ground-based research effort under this program is concerned with systematic studies of the effects of variations: (1) of the relative importance of buoyancy-driven convection, and (2) of diffusion and viscosity conditions on crystal properties. These experimental studies are supported by thermodynamic characterizations of the systems, based on which fluid dynamic parameters can be determined. The specific materials under investigation include: the GeSe-GeI4, Ge-GeI4, HgTe-HgI2, and Hg sub (1-x)Cd sub (x) Te-HgI2 systems. Mass transport rate studies of the GeSe-GeI system as a function of orientation of the density gradient relative to the gravity vector demonstrated the validity of flux anomalies observed in earlier space experiments. The investigation of the effects of inert gases on mass flux yielded the first experimental evidence for the existence of a boundary layer in closed ampoules. Combined with a thorough thermodynamic analysis, a transport model for diffusive flow including chemical vapor transport, sublimation, and Stefan flow was developed.

Wiedemeier, H.↗
NASA NTRS2015

High altitude smoke in the NASA GISS GCM

High altitude smoke-plumes from large, explosive fires were discovered in the late 1990sThey can now be observed with unprecedented detail from space-borne instruments with high vertical resolution in the UTLS such as CALIOP, MLS and ACE. These events inject large quantities of pollutants into a relatively clean and dry environment They serve as unique natural experiments with which to understand, using chemical transport and composition-climate models, the chemical and radiative impacts of long-lived biomass burning emissions. We are currently studying the Black Saturday bushfires in Australia during February 2009

high altitude↗
NASA NTRS1988

The auroral 6300 A emission - Observations and modeling

A tomographic inversion is used to analyze measurements of the auroral atomic oxygen emission line at 6300 A made by the atmosphere explorer visible airglow experiment. A comparison is made between emission altitude profiles and the results from an electron transport and chemical reaction model. Measurements of the energetic electron flux, neutral composition, ion composition, and electron density are incorporated in the model.

Solomon, Stanley C.↗