Search NASA⌕ Search

SEARCH · Search NASA

Results for “Chemistry 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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Evaluation of the MOCAGE Chemistry Transport Model during the ICARTT/ITOP Experiment

We evaluate the Meteo-France global chemistry transport 3D model MOCAGE (MOdele de Chimie Atmospherique a Grande Echelle) using the important set of aircraft measurements collected during the ICARRT/ITOP experiment. This experiment took place between US and Europe during summer 2004 (July 15-August 15). Four aircraft were involved in this experiment providing a wealth of chemical data in a large area including the North East of US and western Europe. The model outputs are compared to the following species of which concentration is measured by the aircraft: OH, H2O2, CO, NO, NO2, PAN, HNO3, isoprene, ethane, HCHO and O3. Moreover, to complete this evaluation at larger scale, we used also satellite data such as SCIAMACHY NO2 and MOPITT CO. Interestingly, the comprehensive dataset allowed us to evaluate separately the model representation of emissions, transport and chemical processes. Using a daily emission source of biomass burning, we obtain a very good agreement for CO while the evaluation of NO2 points out incertainties resulting from inaccurate ratio of emission factors of NOx/CO. Moreover, the chemical behavior of O3 is satisfactory as discussed in the paper.

Bousserez, N.↗
NASA NTRS2012

The Strengths and Limitations of Satellite Data for Evaluating Tropospheric Processes in Chemistry-Climate Models

There is now a wealth of satellite data products available with which to evaluate a model fs simulation of tropospheric composition and other model processes. All of these data products have their strengths and limitations that need to be considered for this purpose. For example, uncertainties are introduced into a data product when 1) converting a slant column to a vertical column and 2) estimating the amount of a total column of a trace gas (e.g., ozone, nitrogen dioxide) that resides in the troposphere. Oftentimes, these uncertainties are not well quantified and the satellite data products are not well evaluated against in situ observations. However, these limitations do not preclude us from using these data products to evaluate our model processes if we understand these strengths and limitations when developing diagnostics. I will show several examples of how satellite data products are being used to evaluate particular model processes with a focus on the strengths and limitations of these data products. In addition, I will introduce the goals of a newly formed team to address issues on the topic of "satellite data for improved model evaluation and process studies" that is established in support of the IGAC/SPARC Global Chemistry ]Climate Modeling and Evaluation Workshop.

Duncan, Bryan↗
DOE OSTI2024

The GFDL Variable-Resolution Global Chemistry-Climate Model for Research at the Nexus of US Climate and Air Quality Extremes

We present a variable-resolution global chemistry-climate model (AM4VR) developed at NOAA's Geophysical Fluid Dynamics Laboratory (GFDL) for research at the nexus of US climate and air quality extremes. AM4VR has a horizontal resolution of 13 km over the US, allowing it to resolve urban-to-rural chemical regimes, mesoscale convective systems, and land-surface heterogeneity. With the resolution gradually reducing to 100 km over the Indian Ocean, we achieve multi-decadal simulations driven by observed sea surface temperatures at 50% of the computational cost for a 25-km uniform-resolution grid. In contrast with GFDL's AM4.1 contributing to the sixth Coupled Model Intercomparison Project at 100 km resolution, AM4VR features much improved US climate mean patterns and variability. In particular, AM4VR shows improved representation of: precipitation seasonal-to-diurnal cycles and extremes, notably reducing the central US dry-and-warm bias; western US snowpack and summer drought, with implications for wildfires; and the North American monsoon, affecting dust storms. AM4VR exhibits excellent representation of winter precipitation, summer drought, and air pollution meteorology in California with complex terrain, enabling skillful prediction of both extreme summer ozone pollution and winter haze events in the Central Valley. AM4VR also provides vast improvements in the process-level representations of biogenic volatile organic compound emissions, interactive dust emissions from land, and removal of air pollutants by terrestrial ecosystems. We highlight the value of increased model resolution in representing climate–air quality interactions through land-biosphere feedbacks. AM4VR offers a novel opportunity to study global dimensions to US air quality, especially the role of Earth system feedbacks in a changing climate.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1998

An Atmospheric General Circulation Model with Chemistry for the CRAY T3E: Design, Performance Optimization and Coupling to an Ocean Model

The design, implementation and performance optimization on the CRAY T3E of an atmospheric general circulation model (AGCM) which includes the transport of, and chemical reactions among, an arbitrary number of constituents is reviewed. The parallel implementation is based on a two-dimensional (longitude and latitude) data domain decomposition. Initial optimization efforts centered on minimizing the impact of substantial static and weakly-dynamic load imbalances among processors through load redistribution schemes. Recent optimization efforts have centered on single-node optimization. Strategies employed include loop unrolling, both manually and through the compiler, the use of an optimized assembler-code library for special function calls, and restructuring of parts of the code to improve data locality. Data exchanges and synchronizations involved in coupling different data-distributed models can account for a significant fraction of the running time. Therefore, the required scattering and gathering of data must be optimized. In systems such as the T3E, there is much more aggregate bandwidth in the total system than in any particular processor. This suggests a distributed design. The design and implementation of a such distributed 'Data Broker' as a means to efficiently couple the components of our climate system model is described.

Farrara, John D.↗
NASA NTRS2020

Description and Evaluation of the Specified-Dynamics Experiment in the Chemistry-Climate Model Initiative

We provide an overview of the REF-C1SD specified-dynamics experiment that was conducted as part of phase 1 of the Chemistry-Climate Model Initiative (CCMI). The REF-C1SD experiment, which consisted of mainly nudged general circulation models (GCMs) constrained with (re)analysis fields, was designed to examine the influence of the large-scale circulation on past trends in atmospheric composition. The REF-C1SD simulations were produced across various model frameworks and are evaluated in terms of how well they represent different measures of the dynamical and transport circulations. In the troposphere there are large (~40 %) differences in the climatological mean distributions, seasonal cycle amplitude, and trends of the meridional and vertical winds. In the stratosphere there are similarly large (~50 %) differences in the magnitude, trends and seasonal cycle amplitude of the transformed Eulerian mean circulation and among various chemical and idealized tracers. At the same time, interannual variations in nearly all quantities are very well represented, compared to the underlying reanalyses. We show that the differences in magnitude, trends and seasonal cycle are not related to the use of different reanalysis products; rather, we show they are associated with how the simulations were implemented, by which we refer both to how the large-scale flow was prescribed and to biases in the underlying free-running models. In most cases these differences are shown to be as large or even larger than the differences exhibited by free-running simulations produced using the exact same models, which are also shown to be more dynamically consistent. Overall, our results suggest that care must be taken when using specified-dynamics simulations to examine the influence of large-scale dynamics on composition.

Clara Orbe↗
NASA NTRS2012

Long-Term Changes in Stratospheric Age Spectra in the 21st Century in the Goddard Earth Observing System Chemistry-Climate Model (GEOSCCM)

In this study we investigate the long-term variations in the stratospheric age spectra using simulations of the 21st century with the Goddard Earth Observing System Chemistry- Climate Model (GEOSCCM). Our purposes are to characterize the long-term changes in the age spectra and identify processes that cause the decrease of the mean age in a warming climate. Changes in the age spectra in the 21st century simulations are characterized by decreases in the modal age, the mean age, the spectral width, and the tail decay timescale. Our analyses show that the decrease in the mean age is caused by two processes: the acceleration of the residual circulation that increases the young air masses in the stratosphere, and the weakening of the recirculation that leads to the decrease of tail of the age spectra and the decrease of the old air masses. The weakening of the stratospheric recirculation is also strongly correlated with the increase of the residual circulation. One important result of this study is that the decrease of the tail of the age spectra makes an important contribution to the decrease of the main age. Long-term changes in the stratospheric isentropic mixing are investigated. Mixing increases in the subtropical lower stratosphere, but its impact on the age spectra is outweighed by the increase of the residual circulation. The impacts of the long-term changes in the age spectra on long-lived chemical traces are also investigated. 37 2

Li, Feng↗
NASA NTRS2010

21st Century Trends in Antarctic Temperature and Polar Stratospheric Cloud (PSC) Area in the GEOS Chemistry-Climate Model

This study examines trends in Antarctic temperature and APSC, a temperature proxy for the area of polar stratospheric clouds, in an ensemble of Goddard Earth Observing System (GEOS) chemistry-climate model (CCM) simulations of the 21st century. A selection of greenhouse gas, ozone-depleting substance, and sea surface temperature scenarios is used to test the trend sensitivity to these parameters. One scenario is used to compare temperature trends in two versions of the GEOS CCM. An extended austral winter season is examined in detail. In May, June, and July, the expected future increase in CO2-related radiative cooling drives temperature trends in the Antarctic lower stratosphere. At 50 hPa, a 1.3 K cooling is expected between 2000 and 2100. Ozone levels increase, despite this robust cooling signal and the consequent increase in APSC, suggesting the enhancement of stratospheric transport in future. In the lower stratosphere, the choice of climate change scenarios does not affect the magnitude of the early winter cooling. Midwinter temperature trends are generally small. In October, APSC trends have the same sign as the prescribed halogen trends. That is, there are negative APSC trends in "grealistic future" simulations, where halogen loading decreases in accordance with the Montreal Protocol and CO2 continues to increase. In these simulations, the speed of ozone recovery is not influenced by either the choice of sea surface temperature and greenhouse gas scenarios or by the model version.

Hurwitz, M. M.↗
NASA NTRS1999

A Composite View of Lower Stratospheric Ozone Developed Using a Chemistry Transport Model and Observations from Airborne Lidar and Satellite

An ozone simulation from the Goddard three-dimensional chemistry and transport model for the 1995-96 northern hemisphere winter is compared with ozone observations from airborne Differential Absorption Lidar (DIAL), from the Polar Ozone and Aerosol Measurement (POAM), from the Microwave Limb Sounder (MLS), and from the Halogen Occultation Experiment (HALOE). The 3D model uses winds from the Goddard Data Assimilation System. The 3D model reproduces the latitude dependence of the horizontal and vertical ozone gradients of the subtropical DIAL observations. Comparisons with subtropical satellite observations, which lack the spatial resolution of DIAL but provide near continuous coverage throughout the subtropics, show that the model also reproduces longitude and temporal dependence in the tropical-midlatitude boundary. At polar latitudes, observations from DIAL flights on December 9 and January 30, and POAM and MLS between late December and late January are compared with the 3D model. Data from the three platforms consistently show that the observed ozone has a negative trend relative to the modeled ozone, and that the trend is uniform in time between early and mid winter, with no obvious dependence on proximity to the vortex edge.

Douglass, A. R.↗
NASA NTRS2010

Narrowing of the Upwelling Branch of the Brewer-Dobson Circulation and Hadley Cell in Chemistry-Climate Model Simulations of the 21st Century

Changes in the width of the upwelling branch of the Brewer-Dobson circulation and Hadley cell in the 21st Century are investigated using simulations from a coupled chemistry-climate model. In these model simulations the tropical upwelling region narrows in the troposphere and lower stratosphere. The narrowing of the Brewer-Dobson circulation is caused by an equatorward shift of Rossby wave critical latitudes and Eliassen-Palm flux convergence in the subtropical lower stratosphere. In the troposphere, the model projects an expansion of the Hadley cell's poleward boundary, but a narrowing of the Hadley rising branch. Model results suggest that the narrowing of the Hadley cell ascent is also eddy-driven.

Li, Feng↗
NASA NTRS2010

Narrowing of the Upwelling Branch of the Brewer-Dobson Circulation and Hadley Cell in Chemistry-Climate Model Simulations of the 21st Century

Changes in the width of the upwelling branch of the Brewer-Dobson circulation and Hadley cell in the 21st Century are investigated using simulations from a coupled chemistry-climate model. In these model simulations the tropical upwelling region narrows in the troposphere and lower stratosphere. The narrowing of the Brewer-Dobson circulation is caused by an equatorward shift of Rossby wave critical latitudes and Eliassen-Palm flux convergence in the subtropical lower stratosphere. In the troposphere, the model projects an expansion of the Hadley cell's poleward boundary, but a narrowing of the Hadley cell's rising branch. Model results suggest that eddy forcing may also play a part in the narrowing of the rising branch of the Hadley cell.

Li, Feng↗
NASA NTRS2002

Chemistry-Transport Modeling of the Satellite Observed Distribution of Tropical Tropospheric Ozone

We have compared the 14-year record of satellite derived tropical tropospheric ozone columns (TTOC) from the NIMBUS-7 Total Ozone Mapping Spectrometer (TOMS) to TTOC calculated by a chemistry-transport model (CTM). An objective measure of error, based on the zonal distribution of TTOC in the tropics, is applied to perform this comparison systematically. In addition, the sensitivity of the model to several key processes in the tropics is quantified to select directions for future improvements. The comparisons indicate a widespread, systematic (20%) discrepancy over the tropical Atlantic Ocean, which maximizes during austral Spring. Although independent evidence from ozonesondes shows that some of the disagreement is due to satellite over-estimate of TTOC, the Atlantic mismatch is largely due to a misrepresentation of seasonally recurring processes in the model. Only minor differences between the model and observations over the Pacific occur, mostly due to interannual variability not captured by the model. Although chemical processes determine the TTOC extent, dynamical processes dominate the TTOC distribution, as the use of actual meteorology pertaining to the year of observations always leads to a better agreement with TTOC observations than using a random year or a climatology. The modeled TTOC is remarkably insensitive to many model parameters due to efficient feedbacks in the ozone budget. Nevertheless, the simulations would profit from an improved biomass burning calendar, as well as from an increase in NOX abundances in free tropospheric biomass burning plumes. The model showed the largest response to lightning NOX emissions, but systematic improvements could not be found. The use of multi-year satellite derived tropospheric data to systematically test and improve a CTM is a promising new addition to existing methods of model validation, and is a first step to integrating tropospheric satellite observations into global ozone modeling studies. Conversely,the CTM may suggest improvements to evolving satellite retrievals for tropospheric ozone.

Peters, Wouter↗
NASA NTRS2012

Middle Atmosphere Response to Different Descriptions of the 11-Year Solar Cycle in Spectral Irradiance in a Chemistry-Climate Model

The 11-year solar cycle in solar spectral irradiance (SSI) inferred from measurements by the SOlar Radiation & Climate Experiment (SORCE) suggests a much larger variation in the ultraviolet than previously accepted. We present middle atmosphere ozone and temperature responses to the solar cycles in SORCE SSI and the ubiquitous Naval Research Laboratory (NRL) SSI reconstruction using the Goddard Earth Observing System chemistry-climate model (GEOS CCM). The results are largely consistent with other recent modeling studies. The modeled ozone response is positive throughout the stratosphere and lower mesosphere using the NRL SSI, while the SORCE SSI produces a response that is larger in the lower stratosphere but out of phase with respect to total solar irradiance above 45 km. The modeled responses in total ozone are similar to those derived from satellite and ground-based measurements, 3-6 Dobson Units per 100 units of 10.7-cm radio flux (F10.7) in the tropics. The peak zonal mean tropical temperature response 50 using the SORCE SSI is nearly 2 K per 100 units 3 times larger than the simulation using the NRL SSI. The GEOS CCM and the Goddard Space Flight Center (GSFC) 2-D coupled model are used to examine how the SSI solar cycle affects the atmosphere through direct solar heating and photolysis processes individually. Middle atmosphere ozone is affected almost entirely through photolysis, whereas the solar cycle in temperature is caused both through direct heating and photolysis feedbacks, processes that are mostly linearly separable. Further, the net ozone response results from the balance of ozone production at wavelengths less than 242 nm and destruction at longer wavelengths, coincidentally corresponding to the wavelength regimes of the SOLar STellar Irradiance Comparison Experiment (SOLSTICE) and Spectral Irradiance Monitor (SIM) on SORCE, respectively. A higher wavelength-resolution analysis of the spectral response could allow for a better prediction of the atmospheric response to arbitrary SSI variations.

Swartz, W. H.↗
NASA NTRS2012

Algebraic Turbulence-Chemistry Interaction Model

The results of a series of Perfectly Stirred Reactor (PSR) and Partially Stirred Reactor (PaSR) simulations are compared to each other over a wide range of operating conditions. It is found that the PaSR results can be simulated by a PSR solution with just an adjusted chemical reaction rate. A simple expression has been developed that gives the required change in reaction rate for a PSR solution to simulate the PaSR results. This expression is the basis of a simple turbulence-chemistry interaction model. The interaction model that has been developed is intended for use with simple one-step global reaction mechanisms and for steady-state flow simulations. Due to the simplicity of the model there is very little additional computational cost in adding it to existing CFD codes.

Norris, Andrew T.↗
NASA NTRS2010

Contributions to Future Stratospheric Climate Change: An Idealized Chemistry-Climate Model Sensitivity Study

Within the framework of an idealized model sensitivity study, three of the main contributors to future stratospheric climate change are evaluated: increases in greenhouse gas concentrations, ozone recovery, and changing sea surface temperatures (SSTs). These three contributors are explored in combination and separately, to test the interactions between ozone and climate; the linearity of their contributions to stratospheric climate change is also assessed. In a simplified chemistry-climate model, stratospheric global mean temperature is most sensitive to CO2 doubling, followed by ozone depletion, then by increased SSTs. At polar latitudes, the Northern Hemisphere (NH) stratosphere is more sensitive to changes in CO2, SSTs and O3 than is the Southern Hemisphere (SH); the opposing responses to ozone depletion under low or high background CO2 concentrations, as seen with present-day SSTs, are much weaker and are not statistically significant under enhanced SSTs. Consistent with previous studies, the strength of the Brewer-Dobson circulation is found to increase in an idealized future climate; SSTs contribute most to this increase in the upper troposphere/lower stratosphere (UT/LS) region, while CO2 and ozone changes contribute most in the stratosphere and mesosphere.

Hurwitz, M. M.↗
NASA NTRS2010

QBO Influence on Polar Stratospheric Variability in the GEOS Chemistry-Climate Model

The quasi-biennial oscillation modulates the strength of both the Arctic and Antarctic stratospheric vortices. Model and observational studies have found that the phase and characteristics of the quasi-biennial oscillation (QBO) contribute to the high degree of variability in the Arctic stratosphere in winter. While the Antarctic stratosphere is less variable, recent work has shown that Southern Hemisphere planetary wave driving increases in response to "warm pool" El Nino events that are coincident with the easterly phase of the QBO. These events hasten the breakup of the Antarctic polar vortex. The Goddard Earth Observing System (GEOS) chemistry-climate model (CCM) is now capable of generating a realistic QBO, due a new parameterization of gravity wave drag. In this presentation, we will use this new model capability to assess the influence of the QBO on polar stratospheric variability. Using simulations of the recent past, we will compare the modeled relationship between QBO phase and mid-winter vortex strength with the observed Holton-Tan relation, in both hemispheres. We will use simulations of the 21 St century to estimate future trends in the relationship between QBO phase and vortex strength. In addition, we will evaluate the combined influence of the QBO and El Nino/Southern Oscillation (ENSO) on the timing of the breakup of the polar stratospheric vortices in the GEOS CCM. We will compare the influence of these two natural phenomena with trends in the vortex breakup associated with ozone recovery and increasing greenhouse gas concentrations.

Hurwitz, M. M.↗
NASA NTRS1999

The Influence of Airmass Histories on Radical Species during POLARIS

The Goddard trajectory chemistry model was used with ER-2 aircraft data to test our current knowledge of radical photochemistry during the POLARIS (Polar Ozone Loss in the Arctic Region In Summer) campaign. The results of the trajectory chemistry model with and without trajectories are used to identify cases where steady state does not accurately describe the measurements. Over the entire mission, using trajectory chemistry reduces the variability in the modeled NO(x) comparisons to data by 25% with respect to the same model simulating steady state. Although the variability is reduced, NO(x)/NO(y) trajectory model results were found to be systematically low relative to the observations by 20-30% as seen in previous studies. Using new rate constants for reactions important in NO(y) partitioning improves the agreement of NO(x)/NO(y) with the observations but a 5-10% bias still exists. OH and HO2 individually are underpredicted by 15% of the standard steady state model and worsen with the new rate constants. Trajectory chemistry model results of OH/HO2 were systematically low by 10-20% but improve using the new rates constants because of the explicit dependence on NO. This suggests that our understanding of NO(x) is accurate to the 20% level and HO(x) chemistry is accurate to the 30% level in the lower stratosphere or better for the POLARIS regime. The behavior of the NO(x) and HO(x) comparisons to data using steady state versus trajectory chemistry and with updated rate coefficients is discussed in ten-ns of known chemical mechanisms and lifetimes.

Pierson, J. M.↗
NASA NTRS2010

On the Relationship Between the Brewer-Dobson Circulation and the Southern Annular Mode During Austral Summer in Couple Chemistry-Climate Model Simulations

The Brewer-Dobson circulation (BDC) is the mean transport circulation in the stratosphere. It consists of an upwelling branch in the tropics, poleward flows from the tropics to the extratropics, and downward flows in the extratropics. The BDC plays a crucial role in the distribution of important stratospheric trace gases, such as ozone and water vapor. Therefore changes in the strength of the BDC under global warming could have significant impact on stratospheric ozone depletion and recovery. For example, all climate models that are used by the World Meteorological Organization to predict ozone evolution in the 21 st century project a strengthening of the BDC that leads to ozone superrecovery in the mid-latitudes. On the other hand, ozone changes could also affect the strength of the BDC. This work investigates an outstanding question: whether and how changes in the Brewer-Dobson circulation are connected to climate change in the troposphere, in particular, the annular modes. The annular modes are the leading variability in the extratropical troposphere, which describes a seesaw pattern of circulation fluctuations between the polar and middle latitudes. Using simulations from the Goddard Earth Observing System Coupled Chemistry Climate Model (GEOS CCM), we found the strengthening of the BDC in the summer Southern Hemisphere is strongly correlated with a shift of the Southern Hemisphere Annular Mode (SAM) toward its positive phase for the last 4 decades of the 20th century. This relationship is only present in model runs that simulate the stratospheric ozone depletion. Therefore it is concluded that the BDC-SAM relationship is driven by Antarctic ozone depletion. The ozone hole significantly cools the Antarctic stratosphere in late spring/early summer, which leads to a delayed breakdown of the polar vortex: strong circumpolar eastward flows that usually shift to westward winds in late spring. The prolonged persistence of stratospheric eastward flow enhances upward propagation of tropospheric waves into the stratosphere and strengthens the BDC. The increased wave flux in the stratosphere in turn drives a SAM trend toward its positive phase. Our results also show that the BDC-SAM relationship is robust on the interannual timescale

Li, Feng↗
NASA NTRS1999

Ozone Budgets from a Global Chemistry/ Transport Model and Comparison to Observations from POLARIS

The objective of the Photochemistry of Ozone Loss in the Arctic Region in Summer (POLARIS) field mission was to obtain data to better characterize the summertime seasonal decrease of ozone at mid to high latitudes. The decrease in ozone occurs mainly in the lower stratosphere and is expected to result from in situ chemical destruction. Instrumented balloons and aircraft were used in POLARIS, along with satellites, to measure ozone and chemical species which are involved with stratospheric ozone chemistry. In order to close the seasonal ozone budget, however, ozone transport must also be estimated. Comparison to a global chemistry and transport model (CTM) of the stratosphere indicates how well the summertime ozone loss processes are simulated and thus how well we can predict the ozone response to changing amounts of chemical source gases. Moreover, the model gives insight into the possible relative magnitude of transport contributions to the seasonal ozone decline. Initial comparison to the Goddard CTM, which uses transport winds and temperatures from meteorological data assimilation, shows a high ozone bias in the model and an attenuated summertime ozone loss cycle. Comparison of the model chemical partitioning, and ozone catalytic loss rates to those derived from measurements shows fairly close agreement both at ER-2 altitudes (20 km) and higher. This suggests that the model transport is too active in resupplying ozone to the high latitude region, although chemistry failings cannot be completely ruled out. Comparison of ozone and related species will be shown along with a full diagnosis of the model ozone budget and its possible sources of error.

Kawa, S. Randy↗