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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.
At a former uranium mill site where tailings have been removed, prior work has determined several potential ongoing secondary uranium sources. These include locations with uranium sorbed to organic carbon, uranium in the unsaturated zone, and uranium associated with the presence of gypsum. To better understand uranium mobility controls at the site, four single-well push–pull tests (with a drift phase) were completed with the goal of deriving aquifer flow and contaminant transport parameters for inclusion in a future sitewide reactive transport model. This goes beyond the traditional use of a constant sorption distribution coefficient (K d ) and allows for the evaluation of alternative remedial injection fluids, which can produce variable K d values. Dispersion was first removed from the resulting data to determine possible reactions before conducting reactive transport simulations. These initial analyses indicated the potential need to include cation exchange, uranium sorption, and gypsum dissolution. A reactive transport model using multiple layers to account for partially penetrating wells was completed using the PHT-USG reactive transport modeling code and calibrated using PEST. The model results quantify the hydraulic conductivity and dispersion parameters using the injected tracer concentrations. Uranium sorption, cation exchange, and gypsum dissolution parameters were quantified by comparing the simulated versus observed geochemistry. All simulations required some cation exchange and calcite equilibrium, and one simulation required gypsum dissolution to improve the model fit for calcium and sulfate. Uranium sorption parameters were not strongly influenced by the other parameter values but were highly influenced by uranium concentrations during the drift phase, with possible kinetic rate limitations. Thus, a future recommendation for such push–pull tests is to collect more geochemical data during the drift phase. The final uranium sorption parameters were within the range of values determined from prior column testing. The flow and transport parameters derived from these single-well push–pull tests will provide initial parameters for any future sitewide reactive transport model.
Theory and observations suggest that the Antarctic polar vortex is relatively isolated from midlatitudes, although others have interpreted the observations to indicate that there is substantial mixing from the interior of the vortex into middle latitudes. The equivalent barotropic model of Salby et al. is used to study quasi-horizontal mixing by the large-scale flow in the lower stratosphere during Southern Hemisphere spring, which is when the Antarctic ozone hole appears and disappears. The model is forced by relaxation to observed climatological monthly mean zonal-mean winds and by an idealized wave 1 or 2 forcing at the lower boundary. Mixing and transport are diagnosed primarily through Lagrangian tracer trajectories. For September, October, and November basic states, there is little or no mixing in the interior of the vortex. Mixing occurs near the critical lines for the waves: in the tropics and subtropics for a stationary wave 1, and in midlatitudes on the equatorial flank of the jet for an eastward-moving wave 2. For the December basic state, the wave 2 forcing rapidly mixes the interior of the vortex. Mixing of Lagrangian tracer particles can be significant even when the waves do not `break', as evidenced by the potential vorticity field. In the model there does not appear to be any significant transport of air out of the interior of the polar vortex prior to the vortex breakdown. The principal factor that leads to the vortex breakdown and mixing of the vortex interior is the deceleration of the jet to the point where winds in the interior of the vortex are close to the phase velocity of the wavenumber 2 forcing. The tracer transport is very similar to many aspects of the behavior of the total ozone field during the spring season.
A linear non-diffusive algorithm for advective transport is developed that greatly improves the detail at which aerosols and clouds can be represented in atmospheric models. Linear advection schemes preserve tracer correlations but the most basic linear scheme is rarely used by atmospheric modelers on account of its excessive numerical diffusion. Higher-order schemes are in widespread use, but these present new problems as nonlinear adjustments are required to avoid occurrences of negative concentrations, spurious oscillations, and other non-physical effects. Generally successful at reducing numerical diffusion during the advection of individual tracers, for example, particle number or mass, the higher-order schemes fail to preserve even the simplest of correlations between interrelated tracers. As a result, important attributes of aerosol and cloud populations including radial moments of particle size distributions, molecular precursors related through chemical equilibria, aerosol mixing state, and distribution of cloud phase are poorly represented. We introduce a new transport scheme, minVAR, that is both non-diffusive and preservative of tracer correlations, thereby combining the best features of the basic and higher-order schemes while enabling new features such as the tracking of sub-grid information at arbitrarily fine scales with high computational efficiency.
Recent studies have shown a large spread in the transport of atmospheric tracers into the Arctic among a suite of chemistry climate models, and have suggested that this is related to the multi–model spread in the meridional extent of the Hadley Cell (HC). Here we examine the HC–transport relationship using an idealized model, where we can vary the mean circulation and isolate its impact on transport to the Arctic. It is shown that the poleward transport depends on the relative position between the northern edge of the HC and the tracer source, with maximum poleward transport occurring when the HC edge lies near the middle of the source region. Such dependence highlights the critical role of near–surface transport by Eulerian mean circulation rather than eddy mixing in the free troposphere. These results suggest that variations in the HC extent and the tracer source region are both important for modeling Arctic composition.
Trace gases and aerosols play an important role in Arctic chemistry and climate. As most Arctic tracers and aerosols are transported from midlatitude source regions, long-range transport into the Arctic is one of the key factors to understand the current and future states of Arctic climate. While previous studies have investigated the airmass fraction and transit time distribution in the Arctic, the actual transport pathways and their underlying dynamics and efficiencies are yet to be understood. In this study, we implement a large ensemble of idealized tagged pulse passive tracers in the Whole Atmosphere Community Climate Model version 5 to identify and analyze summertime transport pathways from different Northern Hemisphere surface regions into the Arctic. Three different transport pathways are identified as those associated with fast, intermediate and slow time scales. Midlatitude tracers can be transported into the Arctic in the troposphere via the fast transport pathway (~8 days), which moves tracers northward from the source region mainly through transient eddies. For the intermediate transport pathway, which happens on 1~3 weeks’ time scales, midlatitude tracers are first zonally transported by the jet stream, and then advected northward into the Arctic over Alaska and northern North Atlantic. Tropical and subtropical tracers are transported into the Arctic lower stratosphere via the slow transport pathway (1~3 months), as the tracers are lifted upward into the tropical and subtropical lower stratosphere, and then transported into the Arctic following the isentropic surfaces.
The paper discusses the following: 1. The Brewer-Dobson circulation: tropical upwelling. 2. Mixing into polar vortices. 3. The latitudinal structure of "age" in the stratosphere. 4. The subtropical "tracer edges". 5. Transport in the lower troposphere. 6. Tracer modeling during SOLVE. 7. 3D modeling of "mean age". 8. Models and measurements II.
Data on Rn-222 activity in methane-rich gas bubbles from anoxic coastal sediments of Cape Lookout Bight, North Carolina, were used to determine gas equilibration with pore waters and the rates of ebullitive stripping and transport of gases to overlying waters and the atmosphere. Results showed that, during summer months, the bubble ebullition process strips and transports 1.9-4.8 percent/day of the standing crop of radon (and, by inference, other gases equilibrated with gas bubbles) in surface sediments of Cape Lookout Bight to the troposphere. Thus, the ebullitive mode of gas transport represents an effective mechanism for delivering reduced biogenic gases directly to the atmosphere.
Time-lapse electrical resistivity imaging (ERI) combined with salt tracers can enhance our understanding of subsurface flow and transport in ditch-drained agroecosystems. In a nearly level field adjacent to a drainage ditch, we installed 192 electrodes in a 72-m2 plot along with five hydrometric stations to enable time-lapse ERI monitoring during storms. Immediately prior to a wintertime rainstorm, we applied 5 kg of KBr to a shallow trench located roughly 11 m upgradient from the ditch. Antecedent conditions prior to the storm were wet, assuring a hydrologically connected state that favored tracer dissolution and movement in the subsurface. We monitored the evolution of the tracer plume with ERI over a seven-day period. Four-dimensional (4D) delineation of precipitation and tracer transport using time-lapse ERI showed that the tracer plume moved preferentially downward through a discontinuity in the argillic horizon within the first 57 hrs. Over the following 79 hrs, the tracer plume exhibited steady, lateral movement towards the drainage ditch within a more permeable sandy horizon situated just below the argillic. A spatial moment analysis of logarithmic changes in conductivity in the sand layer revealed seepage velocities ranging from 0.0027 to 0.0482 m d-1; these values were positively correlated with hydraulic gradients, suggesting laminar flow processes typical of sandy aquifers. Increasing groundwater velocities with hydraulic gradients suggest that solute transfers from groundwater to ditch are likely to be faster in storms, especially during wet periods. Even so, predominantly slow lateral transport within the sandy horizon, even during storms, indicates that critical source areas of pollutant loss are likely within a few meters of the ditch.
Until recently, the stable isotopic composition of chemically and datively important stratospheric species, such as ozone (O3), carbon dioxide (CO2), nitrous oxide (N2O), and methane (CH4), was largely unexplored, despite indications from the few measurements available and theoretical studies that global-scale isotopic variations will provide a unique tool for quantifying rates of global-scale mass transport into, within, and out of the stratosphere and for understanding the mechanisms of chemical reactions involved in ozone production. The number and geographical extent of observations are beginning to increase rapidly, however, as access to the stratosphere, both directly and by remote-sensing, has increased over the last 10 years and as new analytical techniques have been developed that make global-scale isotope measurements by whole-air sampling more feasible. The objective of this study, begun in April 1999, is to incorporate into the Livermore 2D model the likely photochemical fractionation processes that determine the isotopic compositions of stratospheric CO2, N2O, CH4, and O3, and to use the model results and new observations from NASA field campaigns in 1996 and 1997 to investigate stratospheric chemistry and mass transport. Additionally, since isotopic signatures from the stratosphere are transferred to the troposphere by downward transport at middle and high latitudes, the isotopic compositions may also serve as sensitive tracers of stratosphere-totroposphere transport. Comparisons of model results with stratospheric and upper tropospheric observations from these campaigns, as well as with ground-based observations from new NOAA and NSF-sponsored studies, will help determine whether the magnitudes of the stratospheric fractionation processes are large enough to use as global-scale tracers of transport into the troposphere and, if so, will be used to help constrain the degree of coupling between the troposphere and the stratosphere.
Structural materials in nuclear environments are exposed to complex and harsh conditions, including high temperatures, corrosive solutions, and irradiation. Material stability and likewise degradation are fundamentally controlled by atomic transport mechanisms. Here, we investigate the influence of radiation-induced, non-equilibrium point defect populations on mass transport within model oxide systems using isotopic tracers and atom probe tomography. An isotopically labelled hematite (a-Fe2O3) film was synthesized with 16O- and 18O-rich layers (>30nm and 10 nm, respectively) sequentially deposited via molecular beam epitaxy. One region of the film was proton irradiated to ~0.1 dpa at 450°C, and regions outside the beam spot provided a non-irradiated control of thermal annealing only. 3D APT was used to directly visualize the elemental and O-isotopic redistribution following both thermal and combined thermal and irradiation conditions. Complementary scanning transmission electron microscopy (STEM) was also employed to study the microstructural evolution. Error function fits of the 18O-concentration profiles enabled quantification of diffusion coefficients.
Models and Measurement Intercomparison II (MM II) summarizes the intercomparison of results from model simulations and observations of stratospheric species. Representatives from twenty-three modeling groups using twenty-nine models participated in these MM II exercises between 1996 and 1999. Twelve of the models were two- dimensional zonal-mean models while seventeen were three-dimensional models. This was an international effort as seven were from outside the United States. Six transport experiments and five chemistry experiments were designed for various models. Models participating in the transport experiments performed simulations of chemically inert tracers providing diagnostics for transport. The chemistry experiments involved simulating the distributions of chemically active trace cases including ozone. The model run conditions for dynamics and chemistry were prescribed in order to minimize the factors that caused differences in the models. The report includes a critical review of the results by the participants and a discussion of the causes of differences between modeled and measured results as well as between results from different models, A sizable effort went into preparation of the database of the observations. This included a new climatology for ozone. The report should help in evaluating the results from various predictive models for assessing humankind perturbations of the stratosphere.
Abstract Despite the widespread use of integrated hydrology models in a variety of applications, consideration of multicomponent reactive transport is still not common. The implementation of these processes requires coupling transport at the surface‐subsurface interface and efficient solution of the non‐linear geochemical model that is consistent with the integrated hydrology solution. The Advanced Terrestrial Simulator provides a flexible multiphysics framework that facilitated this process. In this work, the integrated reactive transport process kernel (PK) was weakly coupled to the integrated hydrology PK. In turn, integrated transport and reactions were coupled using an operator splitting approach. This splitting enabled an explicit solution of the integrated transport problem, including a novel algorithm to calculate exchange fluxes across the surface‐subsurface interface and a point‐by‐point solution of the geochemical problem. Geochemical capabilities were added using well‐established external codes, but rather than using a custom interface to each, a generic interface was used that clearly specifies the variables and operations used by the chemistry PK. The implementation is demonstrated with two example simulations: transport of a tracer in a soil column as it saturates over time and water ponds on the surface and reactive transport in a hillslope driven by successive wet‐dry cycles that result in infiltration, runoff and exfiltration processes.
Tracer gases, whether they are chemical or isotopic in nature, are useful tools in examining the flow and transport of gaseous or volatile species in the underground. One application is using detection of short-lived argon and xenon radionuclides to monitor for underground nuclear explosions. However, even chemically inert species, such as the noble gases, have bene observed to exhibit non-conservative behavior when flowing through porous media containing certain materials, such as zeolites, due to gas adsorption processes. This report details the model developed, implemented, and tested in the open source and massively parallel subsurface flow and transport simulator PFLOTRAN for future use in modeling the transport of adsorbing tracer gases.
Transport from the Northern Hemisphere (NH) midlatitudes to the Arctic plays a crucial role in determining the abundance of trace gases and aerosols that are important to Arctic climate via impacts on radiation and chemistry. Here we examine this transport using an idealized tracer with a fixed lifetime and predominantly midlatitude land-based sources in models participating in the Chemistry Climate Model Initiative (CCMI). We show that there is a 25%-45% difference in the Arctic concentrations of this tracer among the models. This spread is correlated with the spread in the location of the Pacific jet, as well as the spread in the location of the Hadley Cell (HC) edge, which varies consistently with jet latitude. Our results suggest that it is likely that the HC-related zonal-mean meridional transport rather than the jet-related eddy mixing is the major contributor to the inter-model spread in the transport of land-based tracers into the Arctic. Specifically, in models with a more northern jet, the HC generally extends further north and the tracer source region is mostly covered by surface southward flow associated with the lower branch of the HC, resulting in less efficient transport poleward to the Arctic. During boreal summer, there are poleward biases in jet location in free-running models, and these models likely underestimate the rate of transport into the Arctic. Models using specified dynamics do not have biases in the jet location, but do have biases in the surface meridional flow, which may result in differences in transport into the Arctic. In addition to the land-based tracer, the midlatitude-to-Arctic transport is further examined by another idealized tracer with zonally uniform sources. With equal sources from both land and ocean, the inter-model spread of this zonally uniform tracer is more related to variations in parameterized convection over oceans rather than variations in HC extent, particularly during boreal winter. This suggests that transport of land-based and oceanic tracers or aerosols towards the Arctic differs in pathways and therefore their corresponding inter-model variabilities result from different physical processes.
Two-dimensional transport by linear waves is parameterized by wave velocity and temperature correlations and nonconservative properties of the atmosphere in a residual Eulerian framework. Explicit expressions derived for the eddy tracer flux vector are written in eddy diffusion tensor form, but it is demonstrated that strong coupling of chemistry and temperature through the rate constants, as is the case for ozone, requires additional terms proportional to the mixing ratio and not to its gradient. A variety of limiting cases are discussed. In the residual Eulerian framework the K(yz), K(zy) components are nonzero for a nonconservative atmosphere and/or a reactive tracer. Tracers have common transport coefficients in the limit where their chemistry is negligible in comparison to transience. It is shown that the usual one-dimensional vertical eddy diffusion continuity equation is rigorously valid only when the temperature dependence of the rate constants is negligible and the tracer has strong vertical stratification relative to its horizontal variability.
We derive the tropical modal age of air from an analysis of the water vapor tape recorder. We combine the observationally derived modal age with mean age of air from CO2 and SF6 to create diagnostics for the independent evaluation of the vertical transport rate and horizontal recirculation into the tropics between 16-32 km. These diagnostics are applied to two Global Modeling Initiative (GMI) chemistry and transport model (CTM) age tracer simulations to give new insights into the tropical transport characteristics of the meteorological fields from the GEOS4-GCM and the GEOS4-DAS. Both simulations are found to have modal ages that are in reasonable agreement with the empirically derived age (i.e ., transit times) over the entire altitude range. Both simulations show too little horizontal recirculation into the tropics above 22 km, with the GEOS4-DAS fields having greater recirculation. Using CH4 as a proxy for mean age, comparisons between HALOE and model CH4 in the Antarctic demonstrate how the strength of tropical recirculation affects polar composition in both CTM experiments. Better tropical recirculation tends to improve the CH4 simulation in the Antarctic. However, mean age in the Antarctic lower stratosphere can be compromised by poor representation of tropical ascent, tropical recirculation, or vortex barrier strength. The connection between polar and tropical composition shown in this study demonstrates the importance of diagnosing each of these processes separately in order to verify the adequate representation of the processes contributing to polar composition in models.
The Aerosol Cloud meTeorology Interactions oVer the western ATlantic Experiment (ACTIVATE) is a five-year (2019-2023) NASA Earth-Venture Suborbital-3 (EVS-3) mission to robustly characterize aerosol-cloud-meteorology interactions during February-June, with a focus on marine boundary layer clouds. This characterization requires understanding of aerosol composition, distribution, transport pathways, and sources. Here we use the GEOS-Chem chemical transport model driven by the MERRA-2 reanalysis to simulate tropospheric carbon monoxide (CO) and aerosols over the western North Atlantic Ocean (WNAO) during the first field deployment of ACTIVATE (February-March 2020). CO is used as a tracer to diagnose transport pathways for continental pollution outflow to the WNAO. The aerosol simulation represents all major aerosols including sulfate-nitrate-ammonium (SNA), mineral dust, sea salt, black and organic carbon aerosols. Model-simulated mixing ratios of SNA and organic carbon are compared with aircraft observations. We show that intensive aerosol mass measurements in the lower troposphere over the North American outflow region during ACTIVATE provide strong constraints on model aerosol wet scavenging. Comparisons of model aerosol extinctions with the airborne High Spectral Resolution Lidar-2 (HSRL-2) measurements indicate that the model generally captures continental outflow of aerosols and enhanced extinctions associated with sea salt. Simulated aerosol optical depths (AODs) and extinction vertical profiles are also compared with satellite retrievals from MODIS/Aqua and CALIOP/CALIPSO, respectively. CALIOP sometimes observes enhanced aerosol extinction at altitudes between ~1.5km and ~2.0km south of 32°N. The model reproduces this enhancement and attributes it to coarse-mode sea salt associated with high relative humidity. The relative contributions of continental and oceanic sources to the aerosol loading, AOD, and their distributions over the study domain will also be discussed.