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At least 235 records · Page 13

Apparatuses and methods for gas flux measurements

Embodiments of the disclosure are drawn to apparatus and methods for determining gas flux measurements. A gas plume may be emitted from a source and may be blown by wind in an environment. A measurement system, such as a light detection and ranging (lidar) system may collect a plurality of gas concentration measurements associated with the gas plume at a plurality of locations in the environment. A gas flux may be determined based on one or more of the gas concentration measurements along with a wind speed at a location associated with the gas plume. In some embodiments, a height of the gas plume may be determined, and the wind speed at the height of the gas plume may be determined and used to determine the gas flux.

Thorpe, Michael James↗

HIMU geochemical signature originating from the transition zone

Plume volcanism may sample mantle sources deeper than mid-ocean ridge and arc volcanism. Ocean island basalts (OIBs) are commonly related to plume volcanism, and their diverse isotopic and elemental compositions can be described using a limited number of mantle endmembers. However, the origins and depths of these mantle endmembers are highly debated. Here we show that the HIMU (high μ, μ = 238 U/ 204 Pb) endmember may reside in the transition zone. Specifically, we report the geochemical signature of a high-pressure multiphase diamond inclusion, entrapped at 420–440 km depth and 1450 ±50 K, which matches exactly the geochemical patterns of the HIMU-rich OIBs. Since the HIMU component is variably sampled by almost all OIBs, our finding implies that the transition zone causes a major overprint of the geochemical features of mantle plumes. Furthermore, some mantle plumes, like those feeding Bermuda, St Helena, Tubuai and Mangaia, appear to be dominated by this source. Furthermore, our finding highlights the importance of the transition zone in highly incompatible element budget of the mantle.

58 GEOSCIENCES↗

A Review of the Resuspension of Radioactively Contaminated Particles by Vehicle and Pedestrian Traffic—Current Theory, Practice, Gaps, and Needs

Here, the resuspension of radioactively contaminated particles in a built environment, such as from urban surfaces like foliage, building exteriors, and roadways, is described empirically by current plume and dosimetry models used for hazard assessment and long-term risk purposes. When applying these models to radiological contamination emergencies affecting urban areas, the accuracy of the results for recent contamination deposition is impacted in two main ways. First, the data supporting the underlying resuspension equations was acquired for open, quiescent conditions with no vehicle traffic or human activities, so it is not necessarily representative of the urban environment. Second, mechanical disturbance by winds in urban canyons and during emergency operations caused by vehicle traffic and human activities are not directly considered by the equations. Accordingly, plume and dosimetry models allow the user to input certain compensating values, but the models do not necessarily supply users instructions on what values to use. This manuscript reviews the available literature to comprehensively and consistently pool data for resuspension due to mechanically induced resuspension applicable to urban contamination. Because there are few studies that directly measured radioactive resuspension due to vehicles and pedestrians, this review novelly draws on a range of other studies involving non-radioactive particles, ranging from outdoor air pollution emissions to indoor allergen transport. The results lead to tabulated, recommended values for specific conditions in the emergency phase to help users of plume and dosimetry models maintain the conservativeness needed to properly capture the potential radiation dose posed by mechanically induced resuspension. These values are of benefit to model users until better data are available. The results also suggest the types of data that may result in improved plume and dose modeling.

61 RADIATION PROTECTION AND DOSIMETRY↗

Managing Subsurface Pressure Buildup and Interference in Commercial-Scale CO 2 Storage Project with Proximal Injection Wells

Large-scale decarbonization using carbon capture and storage (CCS) is likely to involve many commercial-scale CO 2 storage projects located in close proximity to each other. This close proximity raises concerns over pressure interference among the storage projects. Pressure interference between injection and storage efforts can reduce the practicable CO 2 storage resource and force wells to inject CO 2 at a lower rate to avoid the fracture pressure thresholds per United States Environmental Protection Agency (EPA) Class VI well regulations to preserve injection and confining zone integrity and potentially mitigate against inducing seismic activity. These analyses employ numerical full-physics reservoir modeling to evaluate how pressure buildup fronts and CO 2 plumes evolve under commercial-scale injection volumes of CO 2 in which multiple storage sites located in close proximity occur in tandem. The simulation models mimic injection at pseudo basin-scale and assume homogeneous saline formation(s) as storage targets with a pair of upper and lower homogeneous seal layer/s. These analyses specifically investigate the efficacy of two basin-wide reservoir pressure management strategies in addressing the technical challenges associated with pressure buildup and CO 2 plume commingling. The strategies explored include: 1) enlarging the area of injection well spacing (WS) and 2) storing CO 2 in a stacked sequence (SSS) of saline formations compared to a single formation. The storage and confining zones properties assumed were held common across the scenarios, unless specified otherwise. Analyses results show that after injecting 4 million tons per year for 30 years using 4 separate wells (each injecting 1 million metric tons per year), the radius of CO 2 plume extends to a mere 3 km or less from injection wells. Meanwhile, the radius of pressure buildup ranges on the order of tens to a few hundreds of kilometers, depending on the magnitude of pressure buildup threshold that one would use to define the front. CO 2 plume commingling from different injection wells appears to occur 50 years post-injection, especially under scenarios with narrowly spaced (i.e., < 5 km apart) injection well locations. Findings from sensitivity cases on the well spacing suggest that storage formations modeled would require different well spacing to avoid fracture pressure thresholds. For instance, modeled storage formations with high fracture gradients (i.e., 0.8 psi/ft) would need less than 5–km well spacing, whereas those with lower fracture gradients (i.e., 0.7 psi/ft) would need approximately 20–km well spacing, based on assumed modeling parameters. Under stacked injection, the pressure challenges (described above) still exist but are more alleviated due to distributing the same injection volume across more available reservoir volume. These analyses demonstrate that stacked-sequence storage can effectively address the challenges, while still providing the same target CO 2 storage volumes and allowing a large number of storage projects to be deployed in the same basin by better utilizing the available storage resource across different reservoir depths. Among cases modeled, the resulting pressure buildup front is most suppressed when each storage project distributes injection volumes over several wells, each of which injects a portion of the total CO 2 across the stacked sequence. This strategy results in the smallest CO 2 aerial footprint amongst scenarios evaluated but also shows the largest reduction in the pressure buildup at the top of perforation at the injection wells (upwards of approximately 42 percent compared to the commercial-scale single-formation storage), the result of which is crucial to maintain caprock integrity. The findings presented by this research draw attention to the importance of greater coordination among storage operators and regulatory stakeholders to foster the upscaling and deployment of CCS. These analyses provide insights into required decision-making when considering multi-project deployment in a shared basin. Because these analyses evaluate a very specific geologic situation, they bear further investigations across other geologic situations.

42 ENGINEERING↗

Wildfire Smoke Particle Properties and Evolution, from Space-Based Multi-Angle Imaging

Emitted smoke composition is determined by properties of the biomass burning source and ambient ecosystem. However, conditions that mediate the partitioning of black carbon (BC) and brown carbon (BrC) formation, as well as the spatial and temporal factors that drive particle evolution, are not understood adequately for many climate and air-quality related modeling applications. In situ observations provide considerable detail about aerosol microphysical and chemical properties, although sampling is extremely limited. Satellites offer the frequent global coverage that would allow for statistical characterization of emitted and evolved smoke, but generally lack microphysical detail. However, once properly validated, data from the National Aeronautics and Space Administration (NASA) Earth Observing System’s Multi-Angle Imaging Spectroradiometer (MISR) instrument can create at least a partial picture of smoke particle properties and plume evolution. We use in situ data from the Department of Energy’s Biomass Burning Observation Project (BBOP) field campaign to assess the strengths and limitations of smoke particle retrieval results from the MISR Research Aerosol (RA) retrieval algorithm. We then use MISR to characterize wildfire smoke particle properties and to identify the relevant aging factors in several cases, to the extent possible. The RA successfully maps qualitative changes in effective particle size, light absorption, and its spectral dependence, when compared to in situ observations. By observing the entire plume uniformly, the satellite data can be interpreted in terms of smoke plume evolution, including size-selective deposition, new-particle formation, and locations within the plume where BC or BrC dominates.

54 ENVIRONMENTAL SCIENCES↗

Status Update on TRAC: A DOE-EM Tool for Tracking Groundwater Cleanup and Progress Toward Site Closure - 20245

The U.S. Department of Energy (DOE) Office of Environmental Management (EM) uses a customized, web-based mapping tool called TRAC (Tracking Restoration and Closure) to communicate information on plume sizes, remedial approaches, regulatory drivers, exit strategies, and long-term stewardship requirements at all sites within the DOE-EM complex. The web-based GIS story maps provide robust geospatial visualization of plumes at DOE sites using an intuitive interface that allows users to explore the plume maps, explanatory text, photographs, and video. This collection of story maps not only communicates information for each individual site, but also summarizes pertinent metrics on cleanup and remaining contaminants across all EM sites. This paper describes a new design within TRAC for communicating metrics on plume status, regulatory cleanup progress, and technology implementation. A principal benefit of TRAC is the ability to view individual pieces of data at a time, permitting targeted questions to be addressed, such as the status of regulatory decisions, site cleanup priorities, and site closure needs for each site within the DOE-EM complex. TRAC manages communication and supports decision-making through knowledge access, data and information transparency and traceability, and inclusive participation. It serves as a common resource that provides consistent information for DOE managers, site personnel, regulators and stakeholders. Because long-term stewardship of legacy waste sites requires ongoing coordination and communication among DOE, regulators, and stakeholders, TRAC can also be used to help transition EM sites to the Office of Legacy Management at site closure. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Use of an Alternative Conceptual Model of Vadose Zone Heterogeneity to Evaluate Past Tank Leaks and Other Unplanned Releases within a Tank Farm at the Hanford Site - 20061

Washington State Department of Ecology (Ecology) requested that U.S. Department of Energy (DOE)-Office of River Protection (ORP) consider an evaluation of effects of fine-grained thin sediment layers on transport with a separate alternative conceptual model in its evaluation of the potential impact of tank leaks and other unplanned releases within the tank farm at the Hanford Site. For this alternative model, Ecology recommended that the model be developed based on the general framework of fine-grained units identified by a stakeholder group in their interpretations of variability in moisture content data collected in the vicinity of Waste Management Area (WMA) C. In discussions with DOE-ORP, Ecology acknowledged that the underlying data and interpretations of the occurrence and lateral continuity of the fine-grained thin layers identified by a stakeholder group are uncertain. However, DOE-ORP agreed to Ecology's recommendation and has provided support for the requested evaluation that involved development of an alternative model based on the general framework of the unpublished report by the stakeholder. DOE-ORP considered this evaluation to be a hypothetical evaluation of vadose zone heterogeneities at WMA C. General observations from the range of simulation cases examined in the evaluation of the effects of hypothetical vadose zone heterogeneities at WMA C are as follows. - The movement of the center of mass of the simulated plumes was generally vertically downward below the source for all simulations, including those that incorporated the hypothetical fine-grained units. - All simulations that incorporated hypothetical heterogeneity produced additional plume spreading over what was produced in simulations using Equivalent Homogeneous Media (EHM) model(s)a. The spreading resulted in a broadening of the fringes of the plume, resulting in a wider region of low concentration, but lower peak concentrations associated with the center of mass of the plume. - Simulations that used the silty-sand hydraulic properties, suggested by Ecology for the hypothetical fine-grained units, generally produced similar spreading and slightly lower peak mass flux at the water table when compared to the EHM modeling results. a The EHM-based models used at WMA C do not explicitly include small-scale fine-grained heterogeneities used in the model advocated by Ecology. - Simulations that used the silty-sand hydraulic properties, suggested by Ecology for the hypothetical fine-grained units, generally produced less spreading and an earlier arrival of mass flux at the water table when compared to the use of another set of hydraulic properties from a silty-sand sample collected at a nearby disposal facility. - The EHM representation of the vadose zone generally produced higher peak mass flux and an earlier occurrence of peak fluxes at the water table compared to all analyses incorporating additional hypothetical heterogeneity. Results of this alternative model evaluation of past leaks provided some insight into the transport effects of vadose zone heterogeneities at WMA C that helped resolve Ecology's comments and issues related to the effects of vadose zone heterogeneities on past leaks and losses from the WMA C tank farms area. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Volcanic electrification: recent advances and future perspectives

Abstract The electrification of volcanic plumes has been described intermittently since at least the time of Pliny the Younger and the 79 AD eruption of Vesuvius. Although sometimes disregarded in the past as secondary effects, recent work suggests that the electrical properties of volcanic plumes reveal intrinsic and otherwise inaccessible parameters of explosive eruptions. An increasing number of volcanic lightning studies across the last decade have shown that electrification is ubiquitous in volcanic plumes. Technological advances in engineering and numerical modelling, paired with close observation of recent eruptions and dedicated laboratory studies (shock-tube and current impulse experiments), show that charge generation and electrical activity are related to the physical, chemical, and dynamic processes underpinning the eruption itself. Refining our understanding of volcanic plume electrification will continue advancing the fundamental understanding of eruptive processes to improve volcano monitoring. Realizing this goal, however, requires an interdisciplinary approach at the intersection of volcanology, atmospheric science, atmospheric electricity, and engineering. Our paper summarizes the rapid and steady progress achieved in recent volcanic lightning research and provides a vision for future developments in this growing field.

58 GEOSCIENCES↗

Droplet-Gas Interactions in Nanoelectrospray Multiphase Flow

Electrospray (ES) is production of a charged droplet plume that transits from an electrically biased supply capillary to a counter electrode under the influence of an electric field. Drag interactions with the surrounding gas decelerate the droplets while transferring the momentum from droplets to accelerate the surrounding gas, resulting in an induced gas flow. This work seeks to characterize the structure of the resulting gas jet and identify the key mechanisms defining the flow structure. The phenomenon of gas jets produced by momentum transfer from nano-electrospray (nES) plumes is explored with schlieren visualization, thermal anemometry, and numerical simulations. Schlieren visualization experiments provide information on the flow structure in support of simulation predictions, and the hot thermistor anemometry measurements of gas velocities outside the spray demonstrate quantitatively validated simulation results. The study reveals the formation of a moderately high velocity coaxial gas jet within the nES plume and provides insight into the overall flow structure of the induced flow. The multiphase electrohydrodynamic simulations enable numerical experimentation to explore the fundamental physics of coupled droplet-gas transport and the resulting flow structure. The simulations, confirmed by the experiments, reveal gas jetting induced by nES with a narrow (sub hundred micrometers in diameter) core originating from the nES liquid-jet breakup region and a surrounding larger-in-extent zone (several hundred micrometers in diameter) of lower velocity gas flow within the electrospray plume. This behavior is due to nES ejecting a stream of droplets from the tip of a narrow liquid cone-jet, where the combined effect of many small droplets transferring momentum to a confined region of gas yields a narrow but high-velocity gas stream. Furthermore, the micro-jets produced by nES have practical utility for mass spectrometry, 3D printing and fabrication, and thermal management.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Trace explosive residue detection of HMX and RDX in post-detonation dust from an open-air environment

Explosives are often used in industry, geology, mining, and other applications, but it is not always clear what remains after a detonation or the fate and transport of any residual material. The goal of this study was to determine to what extent intact molecules of high explosive (HE) compounds are detectable and quantifiable from post-detonation dust and particulates in a field experiment with varied topography. We focused on HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocane), which is less studied in field detonation literature, as the primary explosive material and RDX (1,3,5-Trinitroperhydro-1,3,5-triazine) as the secondary material. The experiment was conducted at Site 300, Lawrence Livermore National Laboratory’s Experimental Test Site, in California, USA. Two 20.4 kg and one 40.8 kg above ground explosions (primarily comprised of LX-14, an HMX-based polymer-bonded high explosive) were detonated on an open-air firing area on separate days. The complex terrain of the firing area (e.g., buildings, berm, low-height obstacles) was advantageous to study HE deposition in relation to plume dynamics. Three types of samples were collected up to 100 m away from each shot: surface swipes of aluminum plates, surface swipes of fixed objects, and filters from air samples. We used atmospheric flow tube-mass spectrometry (AFT-MS) to quantify picogram levels of molecular residue of HE material in the post-detonation dust. An aliquot of sample extract in methanol (e.g., 1 µL of 0.5 mL) was placed onto a resistive material and then thermally desorbed into the AFT-MS. We successfully detected and quantified both HMX and RDX in many of the samples. Based on mass (pg) detected and solution dilution, we back-calculated the mass collected on the swipe or filter (ng per sample). The aerial distribution of molecular residue was consistent with the path of the plume, which was strongly determined by wind speed and direction at the time of each shot. The quantity of material detected appeared to correlate more with distance from the shot and the wind conditions than with shot size. This study demonstrates that the picogram detection levels of AFT-MS are well-suited for quantification of analytes (e.g., HMX and RDX) in environmental samples.

atmospheric flow tube-mass spectrometry (AFT-MS), ↗

Aircraft Measurements from a U.S. Western Wildfire Demonstrating Day and Night Differences in the Chemical Composition and Optical Properties of Biomass Burning Aerosols and Their Atmospheric Evolution

The composition and transformations of biomass burning aerosols (BBA) have been measured onboard the NOAA Twin Otter research aircraft during the Fire Influence on Regional to Global Environments and Air Quality field study. Here, we analyze real-time aerosol mass spectrometry measurements across three flights during the afternoon, late afternoon, and night of August 28, 2019, for one midsized wildfire. Analysis of several metrics showed that the aerosol composition and optical properties varied depending on the burning conditions at the fire zone and the time of day the BBA was emitted, with substantial variations in the available sunlight. The total aerosol mass loadings were dominated by organic components with a much smaller contribution from inorganic species. A gradual buildup of organic material was observed during the afternoon as the plume aged, indicating the condensation of photochemically formed low-volatility oxidized organic compounds. Highly hygroscopic ammonium nitrate was the main inorganic component, suggesting potential water content in BBA particles and the likelihood of their aqueous-phase reactivity. Depletions of particle-phase NO 3 – and Cl – relative to carbon monoxide were observed in the late afternoon and nighttime plumes, respectively, aligning with known gas-particle partitioning thermodynamics and the heterogeneous chemistry of dissolved nitrate and chloride. The wavelength-dependent light absorption by aerosol species was higher for the plume sampled at night and showed no significant changes with plume age, despite observed trends in composition and mass downwind. These differences in particle composition and optical properties demonstrate that the processes involved in BBA aging are not uniform for the same wildfire over the course of the day and depend highly on when the BBA was emitted, as well as the burning phase at the emissions source.

54 ENVIRONMENTAL SCIENCES↗

Contrasting Stratospheric Smoke Mass and Lifetime From 2017 Canadian and 2019/2020 Australian Megafires: Global Simulations and Satellite Observations

Stratospheric injections of carbonaceous aerosols and combustion gases by extreme wildfires have become increasingly common. Recent “megafires,” particularly large and intense fires, delivered particulate burdens to the lower stratosphere comparable to those of moderate volcanic eruptions. The 2017 Canadian megafire generated four large Pyrocumulonimbi (pyroCbs), injecting up to ≈0.3 Tg of smoke in the lower stratosphere. Even more extreme, the 2019/2020 Australian event produced a pyroCb activity resulting in stratospheric smoke intrusions of ≈1 Tg. To understand their contrasting behavior, we present global climate simulations of the atmospheric response to these events, applying smoke burdens informed by remote observations. Model outcomes, compared to satellite data of smoke transport, reproduce reasonably well the initial plume rise, at 0.2–0.3 km/day, attaining heights of ≈20 km in Canada and above 30 km in Australia. Global dispersal of the plume occurs within about 3 weeks in both cases, consistent with observations. Smoke removal timescales, ≈5 months for the Canadian megafire, agree with remote measurements. During the Australian megafire, observations indicate stratospheric injections three times as large, and models predict comparatively longer smoke lifetimes, ≈16 months. After the latter event, atmospheric optical depths and radiative cooling achieved values close to those measured following the Pinatubo eruption. Sensitivity tests of model assumptions indicate, in accord with prior studies, that smoke burden, injection heights, and black carbon content can determine plume evolution and possible climate impacts. An empirical relation between peak heights of stratospheric plumes and lifetimes is derived that can help assess megafire impacts on the stratosphere, climate and the Earth system

54 ENVIRONMENTAL SCIENCES↗

Description and Evaluation of a New Deep Convective Cloud Model Considering In-cloud Inhomogeneity

Convections still need to be parameterized in general circulation models (GCMs) in the coming decades. Performances of GCMs are significantly influenced by the convection schemes used. In contrast to most conventional cloud models that ignore in-cloud inhomogeneities, a new convective cloud model explicitly considering in-cloud inhomogeneities is developed. The new model adopts a single bulk plume approach, but divides the plume into a series of interacting sub-plumes in order to mimic the transition from the plume core to its edges. We implemented the new cloud model in NCAR Community Atmosphere Model version 5.0 (CAM5) and evaluated its performance. Single-column tests show a stronger mass flux profile and low-level detrainment with the new model. In global simulations, the long-lasting wet bias in the tropical free troposphere of CAM5 is alleviated. Spatial pattern and intensity distribution of precipitation is improved, but the global hydrological cycle is slightly over-enhanced. The diurnal cycle of tropical precipitation is also better captured though the precipitation peak still occurs earlier than the observations and the amplitude of the cycle tends to weaken. MJO simulation is slightly improved with the new scheme. In addition, the new cloud model generated more tropical cyclones, in better agreement with observations.

54 ENVIRONMENTAL SCIENCES↗

Rapid vertical exchange at fronts in the Northern Gulf of Mexico

Over the Texas-Louisiana Shelf in the Northern Gulf of Mexico, the eutrophic, fresh Mississippi/Atchafalaya river plume isolates saltier waters below, supporting the formation of bottom hypoxia in summer. The plume also generates strong density fronts, features of the circulation that are known pathways for the exchange of water between the ocean surface and the deep. Using high-resolution ocean observations and numerical simulations, we demonstrate how the summer land-sea breeze generates rapid vertical exchange at the plume fronts. We show that the interaction between the land-sea breeze and the fronts leads to convergence/divergence in the surface mixed layer, which further facilitates a slantwise circulation that subducts surface water along isopycnals into the interior and upwells bottom waters to the surface. This process causes significant vertical displacements of water parcels and creates a ventilation pathway for the bottom water in the northern Gulf. The ventilation of bottom water can bypass the stratification barrier associated with the Mississippi/Atchafalaya river plume and might impact the dynamics of the region’s dead zone.

54 ENVIRONMENTAL SCIENCES↗

Assessing the potential of composite confining systems for secure and long-term CO 2 retention in geosequestration

A potential geologic target for CO 2 storage should ensure secure containment of injected CO 2 . Traditionally, this objective has been achieved by targeting reservoirs with overlying seals-regionally extensive, low permeability units that have been proven capable of retaining buoyant fluid accumulations over geologic time. However, considering that the amount of CO 2 is limited by a decadal injection period, vertical migration of CO 2 can be effectively halted by a composite system of discontinuous shale/silt/mudstone barriers in bedded sedimentary rocks. Here, we studied the impact of depositional architectures in a composite confining system on CO 2 migration and confinement at reservoir scale. We stochastically generated lithologically heterogeneous reservoir models containing discontinuous barriers consistent with statistical distributions of net-sand-to-gross-shale ratio (NTG) and horizontal correlation lengths derived from well log data and observations of producing hydrocarbon fields in Southern Louisiana. We then performed an extensive suite of reservoir simulations of CO 2 injection and post-injection to evaluate the sensitivity of CO 2 plume migration and pressure response of the composite system to a series of geologic and fluid parameters including the lateral continuity of barriers, NTG, permeability anisotropy within the sand body, and capillary pressure contrast between the sand and shale facies. The results indicate that lateral continuity of barriers and NTG are the dominant controls on CO 2 plume geometry and pressure build-up in the reservoir, while the impact of NTG is particularly pronounced. The significance of intraformational barriers becomes apparent as they facilitate the local capillary trapping of CO 2 . Those barriers improve the pore space occupancy by promoting a more dispersed shape of the plume and ultimately retard the buoyancy-driven upward migration of the plume post injection.

58 GEOSCIENCES↗

Identifying geologic characteristics and operational decisions to meet global carbon sequestration goals

Geologic carbon sequestration is the process of injecting and storing CO 2 in subsurface reservoirs and is an essential technology for global environmental security (e.g., climate change mitigation) and economic security (e.g., CO 2 tax credits). To meet energy, economic, and environmental goals, society will have to identify vast volumes of high-capacity, low-cost, and viable storage reservoirs for sequestering CO 2 . In turn, this requires understanding how major geologic characteristics (such as reservoir depth, thickness, permeability, porosity, and temperature) and design and operational decisions (such as injection well spacing) impact CO 2 injection rates, storage capacity, and economics. Although many numerical simulation tools exist, they cannot repeat the required thousands or millions of simulations to identify ideal reservoir properties and the sensitivity and interaction between geologic parameters and operational decisions. Here, we use SCO 2 T—a fast-running, reduced-order modeling framework—to explore the sensitivity of major geologic parameters and operational decisions to engineering (CO 2 injection rates, plume dimensions, and storage capacities and effectiveness) and costs. Our results show, for the first time, benefits and impacts such as allowing CO 2 plumes to overlap, how different well spacing patterns affect CO 2 sequestration, the effects on costs of including brine treatment and disposal, and the effect of restricting injection rates to 1 MtCO 2 per y based on well limitations. We reveal multiple novel and unintuitive findings including: (i) deeper reservoirs have reduced carbon sequestration costs until injection rates reach 1 MtCO 2 per y, at which point deeper reservoirs become more expensive, (ii) thicker formations allow for increased injection rates and storage capacity, but thickness barely impacts plume areas, (iii) higher geothermal gradients result in reduced sequestration costs, unless brine treatment/disposal costs are included, at which point reservoirs having lower geothermal gradients are more economical because they produce less brine for each unit of injected CO 2 , and (iv) allowing plumes to overlap has a significantly positive impact of increasing storage capacities but has only a small influence on reducing sequestration costs. Altogether, our results illustrate new scientific conclusions to help identify suitable sites to inject and store CO 2 , to help understand the complex interaction between geology and resulting costs, and to help support the pursuit of meeting global sequestration targets.

58 GEOSCIENCES↗

Experimental and computational investigation into the hydrodynamics and chemical dynamics of laser ablation aluminum plasmas

Laser ablation plasma chemistry is governed by a complex interplay between hydrodynamic plasma-gas mixing processes, thermodynamics, and rapid high-temperature chemical reactions. Here, in this work, we investigate the gas-phase oxidation chemistry of ns-laser ablation aluminum plasmas in air using optical spectroscopy combined with advanced multi-physics modeling. Experimental measurements demonstrate the formation of AlO in the plasma plume as early as 1 μs while computational results reveal that several Al x O y species are distributed in the periphery of the plume at even earlier times (<20 ns) in the presence of large temperature gradients and strong shockwaves. Interactions with the ablation crater during rapid plume expansion are shown to initiate vortex formation, followed by mixing dynamics that work to pull AlO into the vortices to react with gas-phase Al to form Al 2 O. Oxygen and several aluminum oxides are simultaneously pulled up through the stem of the fireball, encouraging further intermixing between reacting species and enhanced molecular formation. This work concludes that chemical dynamics in laser ablation plasmas is driven by diffusion processes, concentration gradients, and plume hydrodynamics while strong shockwaves generated during laser ablation do not impede chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Medium-Scale Methanol Pool Fire Model Validation

In this work, medium scale (30 cm diameter) methanol pool fires were simulated using the latest fire modeling suite implemented in Sierra/Fuego, a low Mach number multiphysics reacting flow code. The sensitivity of model outputs to various model parameters was studied with the objective of providing model validation. This work also assesses model performance relative to other recently published large eddy simulations (LES) of the same validation case. Two pool surface boundary conditions were simulated. The first was a prescribed fuel mass flux and the second used an algorithm to predict mass flux based on a mass and energy balance at the fuel surface. Gray gas radiation model parameters (absorption coefficients and gas radiation sources) were varied to assess radiant heat losses to the surroundings and pool surface. The radiation model was calibrated by comparing the simulated radiant fraction of the plume to experimental data. The effects of mesh resolution were also quantified starting with a grid resolution representative of engineering type fire calculations and then uniformly refining that mesh in the plume region. Simulation data were compared to experimental data collected at the University of Waterloo and the National Institute of Standards and Technology (NIST). Validation data included plume temperature, radial and axial velocities, velocity temperature turbulent correlations, velocity velocity turbulent correlations, radiant and convective heat fluxes to the pool surface, and plume radiant fraction. Additional analyses were performed in the pool boundary layer to assess simulated flame anchoring and the effect on convective heat fluxes. This work assesses the capability of the latest Fuego physics and chemistry model suite and provides additional insight into pool fire modeling for nonluminous, non-sooting flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗