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DOE OSTI2014

Geologic Modeling and Simulation Report for the Aquistore Project

The Plains CO 2 Reduction (PCOR) Partnership, through the Energy & Environmental Research Center (EERC), has been supporting, and continues to support, the Petroleum Technology Research Centre (PTRC) Aquistore project. This support has been in the form of geologic characterization, involvement in the Science and Engineering Research Committee (SERC), involvement in public outreach, developing geologic models and running predictive simulations on the expected injection program at the site. The Aquistore project is part of the world’s first commercial postcombustion carbon capture, utilization, and storage project from a coal-fired power-generating facility, the SaskPower Boundary Dam, located in Saskatchewan, Canada, and will be acting as a storage site for a portion of the captured CO 2 from the Boundary Dam power plant. The Aquistore site includes one injection well and a 152-meter offset observation well. Both wells were drilled and completed in the Deadwood and Black Island Formations. At the time of this report, injection at the Aquistore site is anticipated to begin in late 2014. To better understand the storage implications of injecting carbon dioxide (CO 2 ) at the Aquistore site, the EERC has constructed P10, P50, and P90 geologic model realizations and run three new predictive simulation scenarios on each realization. These models and simulations were constructed to better understand both operational and geologic uncertainties that may exist at the Aquistore site. The geologic model realizations and simulations are an update to those completed in the original report entitled “Geologic Modeling and Simulation Report for the Aquistore Project,” Deliverable D93, approved in March 2014. In this update, the same fine-scale model extent of the 34-square-kilometer PTRC 3-D seismic survey area, with higher structural resolution, was continually used for the uncertainty analysis. A low (P10), mid (P50), and high volumetric (P90) case for the amount of pore volume accessible to store the potential injected CO 2 was ranked based on certain deviation variations of model-building parameters, including effective porosity and net-to-gross reservoir, in six sand units of the study area. Three cases with various injection rate and period schemes were simulated based on uncertainty models P10, P50, and P90.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Linear Approximation Line Pack Model for Integrated Electricity and Natural Gas Systems OPF

With the increasing installation of renewable energy electricity generation capacity, the penetration of natural gas fired generation is also substantailly increasing in power systems due to their fast response capability to mitigate system variability and uncertainty. The dependencies between the electricity system and the natural gas system are becoming more important to maintain the reliability of both systems. In integrated electricity and natural gas systems (IEGSs) operations, the nonlinearity of the natural gas system brings challenges to the system operators. In this paper, the IEGSs optimal power flow (OPF) model is proposed that includes the line pack of the gas system via linear approximation. The simulation results demonstrate that the proposed model can obtain optimal solutions efficiently that are comparable in accuracy as the nonlinear line pack model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

CRCNS22 Learning Rules in the Hippocampus and their Mapping to Neuromorphic Systems (Final Technical Report)

Large scale biologically-realistic computational models are key to investigating the interplay between structure and function in nervous systems, thus paving the way to new clinical methods and neuro-inspired computing solutions. This project focuses on the hippocampus, in particular the CA3-CA1 regions, due to their role in associative learning and memory, pattern separation and completion, and spatial navigation. Investigations into the neuronal organization and learning rule(s) of this circuit can shed light into how declarative memories are formed, stored, recalled and forgotten and inform computational, experimental and clinical neuroscience work. Our project aims at developing a novel data-driven methodology supported by a broad heterogeneous base of neuroscience experimental knowledge and inspired from advances in computer science and engineering. Specifically, this work will benchmark existing and new learning rules within a full-scale spiking neural network simulation of the CA3-CA1 region. The model will be based on an open-source repository, called the Hippocampome, which contains neuronal morphologies, firing patterns, synapse probabilities, and most other required parameters for all known neuron types in the rodent hippocampal formation. The model will be first trained in a supervised fashion for associative memory tasks using backpropagation through time traditionally used in computer science, enhanced with a new technique called the surrogate gradient method. This optimization method will be used to obtain a global loss minimization, but it is not biologically inspired as it assumes the use of data not locally available to the synapses. However, we propose its use as a benchmarking tool, to compare the training performance of local biologically plausible and hardware-mappable learning rules at scale. New rules or combinations will be proposed and tested as needed, based on the obtained results. Progress in this area will also drive the development of novel hardware-mappable algorithms for continual lifelong learning and categorization of new events from few presented examples. This project goes beyond the existing state-of-the-art by looking at large scale realistic neuronal circuits as networks trainable via global optimization methods such as surrogate gradient descent. The objective function of the brain that supports learning is largely unknown, but it is likely that it operates through local learning rules. Studying network trajectories around local minima as proposed in this work represents a useful strategy for understanding whether a network is training by using a specific (set of) learning rule(s). Starting from a completely untrained network is a challenging test since it is difficult to determine how the learning rule affects the trajectory of the network. This interdisciplinary project will help understand what rule governs learning in these regions or if multiple learning rules are involved. The work will develop a robust methodology to measure if the network is converging to the target solution, oscillating around it, or diverging away.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Towards predictive simulations of soot formation: from surrogate to turbulence

The combustion of transportation fuels leads to the formation of several kinds of pollutants, among which are soot particles. These particles, also formed during coal combustion and in fires, are the source of several health problems and environmental issues. Unfortunately, our current understanding of the chemical and physical phenomena leading to the formation of soot particles remains incomplete, and as a result, the predictive capability of our numerical tools is lacking. The objective of the work was to reduce the gap in the present understanding and modeling of soot formation both in laminar and turbulent flames. The effort spanned several length scales from the molecular level to large scale turbulent transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

On the moisture migration of concrete subject to high temperature with different heating rates

A better understanding of moisture migration in concrete at high temperature can play an important role to improve the fire-resistance and radiation-shielding capability of concrete structures. In this regard, within the numerical framework of Multi-physics Lattice Discrete Particle Model, the moisture clog in concrete during heating is defined as the moisture-saturated region between the so-called “water front” and “water back” (isosurfaces of saturation = 1). The moisture migration in concrete subject to slow and fast heating has been investigated by simulating experimental tests in which moisture has been monitored via different techniques, namely 3D Neutron Tomography and Ground-Penetrating Radar. An overall consistency between experimental and numerical results has been observed, indirectly proving the effectiveness of numerical modelling and experimental monitoring of moisture migration.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Experimental and numerical investigation of reactive shock-accelerated flows

The main goal of this program was to establish a qualitative and quantitative connection, based on the appropriate dimensionless parameters and scaling laws, between shock-induced distortion of astrophysical plasma density clumps and their earthbound analog in a shock tube. These objectives were pursued by carrying out laboratory experiments and numerical simulations to study the evolution of two gas bubbles accelerated by planar shock waves and compare the results to available astrophysical observations. The experiments were carried out in an vertical, downward-firing shock tube, 9.2 m long, with square internal cross section (25×25 cm 2 ). Specific goals were to quantify the effect of the shock strength (Mach number, M) and the density contrast between the bubble gas and its surroundings (usually quantified by the Atwood number, i.e. the dimensionless density difference between the two gases) upon some of the most important flow features (e.g. macroscopic properties; turbulence and mixing rates). The computational component of the work performed through this program was aimed at (a) studying the physics of multi-phase compressible flows in the context of astrophysics plasmas and (b) providing a computational connection between laboratory experiments and the astrophysical application of shock-bubble interactions. Throughout the study, we used the FLASH4.2 code to run hydrodynamical and magnetohydrodynamical simulations of shock bubble interactions on an adaptive mesh.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

The impacts of biomass burning activities on convective systems over the Maritime Continent

Convective precipitation associated with Sumatra squall lines and diurnal rainfall over Borneo is an important weather feature of the Maritime Continent in Southeast Asia. Over the past few decades, biomass burning activities have been widespread during summertime over this region, producing massive fire aerosols. These additional aerosols, when brought into the atmosphere, besides influencing the local radiation budget through directly scattering and absorbing sunlight, can also act as cloud condensation nuclei or ice nuclei to alter convective clouds and precipitation over the Maritime Continent via so-called aerosol indirect effects. Based on 4-month simulations with or without biomass burning aerosols, conducted using theWeather Research and Forecasting model coupled with a chemistry module (WRFChem), we have investigated the aerosol–cloud interactions associated with biomass burning aerosols over the Maritime Continent. Results from selected cases of convective events have specifically shown the significant impact of fire aerosols on weak convections by their increasing of the quantities of hydrometeors and rainfall in both the Sumatra and Borneo regions. Statistical analysis over the fire season also suggests that fire aerosols have impacts on the nocturnal convections associated with the local anticyclonic circulation in western Borneo and weaken nocturnal rainfall intensity by about 9 %. Such an effect is likely to have come from the near-surface heating due to absorbing aerosols emitted from fires, which could weaken land breezes and thus the convergence of anticyclonic circulation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Investigation of fuel film formation and soot emissions in a GDI engine during cold-start with Split-injection strategies

This study investigates the impact of fuel-film formation on engine-out soot emissions in a gasoline direct injection (GDI) engine under cold-start conditions. Split-injection strategies were applied by varying the number of injections, injection duration, and total fuel quantity to affect wall wetting and control the average in-cylinder equivalence ratio. A combined experimental and numerical approach was employed to analyze fuel-film deposition, combustion efficiency, and engine-out soot and unburnt hydrocarbons (UHC) emissions. In particular, fuel film distribution estimated by means of non-reacting, 3-D, computational fluid dynamics (CFD) simulations, together with experimentally measured soot data, were used to investigate fuel film formation and its role in soot generation. In the experiments, a skip-fired engine control strategy was applied to mimic the transient nature of engine cold-start operation. The results indicate that, under the same total number of injections, increasing the average in-cylinder equivalence ratio through longer injection durations improves combustion stability, as indicated by the decrease of the coefficient of variation of IMEP n (Net Indicated Mean Effective Pressure) from 6.0 % to 0.6 %. However, this strategy leads to higher soot emissions, which increased by nearly an order of magnitude, primarily due to enhanced wall-film formation. In contrast, increasing the number of injections while maintaining a constant equivalence ratio significantly impacts fuel-film deposition and, consequently, soot emissions, with a fivefold reduction of the measured engine-out soot, decreasing from 3.5 mg to 0.7 mg. A soot-film correlation was developed and achieved a high coefficient of determination (r 2 = 0.95) and was further extended to account for spark timing effects. These findings confirm the effectiveness of split-injection for avoiding wall film formation and soot emissions, and the critical role of fuel film in soot generation, supporting the hypothesis that pool fires play a crucial role in contributing to soot formation under these cold-start conditions. In conclusion, the study also indicates the value of a predictive soot-film correlation for developing cold-start emission control strategies.

Engine Cold-start↗

DOE OSTI2013

BAM challenges for design testing of waste containers for the final repository KONRAD

Up to the end of this decade, corresponding to the planned date of starting operation in the final disposal KONRAD for non-heat generating waste in Germany, a lot of efforts are needed to condition and package the radioactive waste in containers certified by BfS (Federal Institute for Radiation Protection). This waste is produced by public sector and industry as well as nuclear energy facilities, which result in more than a half of the actually declared quantity growing especially after the phase out decision of nuclear power production in Germany and the subsequent decommissioning of nuclear power plants. BAM (Federal Institute for Materials Research and Testing) acts as responsible authority on behalf of BfS for design testing under consideration of the KONRAD requirements. Within the assessment procedure of containers, BAM has to verify the application documents, including material qualification, container geometry, corrosion protection, leakage rate and operational and accidental loading, and to evaluate quality assurance measures. Besides the previous completed approvals for various containers such as steel sheet and cast iron box-shaped containers and concrete cylindrical ones, BAM is actually carrying assessments for other types such as cast iron cylindrical containers and 'old' steel sheet box shaped ones. The so called 'old' containers present already loaded containers without any KONRAD certification, currently stored at licensed interim storages. In the benefit of the container assessment, BAM operates design testing facilities for drop and fire tests which are also used for research objectives to improve and expand the evaluation methods such as research project ConDrop. The latter deals with numerical simulations and analyses tools for further precise predictions about unfavorable drop test scenarios, safety margins, and design sensitivities for steel sheet containers. Furthermore, during the assessment procedure, several specifications about the containers, the inventory to be disposed and the required safety level have been intensely debated by authorities and applicants. Based on its experience in qualifying containers, BAM has been commissioned to identify insufficiently specified aspects in the waste acceptance criteria and to propose clearer definitions with regard to the secondary regulations in the planning approval notice. This paper focuses on aspects of the contribution of BAM in certifying KONRAD waste containers. This will include the current state of design testing procedures, evaluation methods that are available or are being developed and the main topics within the KONRAD requirements being actually specified by BAM. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Hybridizing Machine Learning and Physically-based Earth System Models to Improve Prediction of Multivariate Extreme Events (AI Exploration of Wildland Fire Prediction)

Focal Areas: This project responds to two focal areas identified in the DOE Call for AI4ESP White Papers: 1) Predictive modeling through the use of artificial intelligence (AI) techniques, and 2) insights gleaned from complex data using explainable AI and big data analytics. Science Challenge: Large wildland fires (hereafter wildfires) appearing as high-impact compound climate extreme events are closely related to hydroclimate and water cycle extremes that modulate surface fuel supply and combustibility. These compound events have multivariate climatic features (e.g., temperature, precipitation, relative humidity, wind, lightning) and societal drivers (e.g., forest management, land use change, human caused ignitions). Meanwhile, they induce strong feedbacks to the coupled atmosphere, biosphere, and hydrosphere by perturbing regional and global radiation budget as well as ecological, biogeochemical, and water cycles across multiple spatiotemporal scales. The nonlinear interactions between these natural and anthropogenic components of the Earth system are too complex to be completely and adequately represented in today’s Earth system models (ESMs). The inherent stochastic nature of fire activity at all scales further increases the difficulty of its prediction using ESMs that are usually developed from deterministic equations and parameterizations. Besides, concurrence of long-term (decadal to interdecadal) global climate change and fire regime shifts overlapping with short-term (intraseasonal to interannual) variations of regional fire weather and burning activity confound predictability of these compound extreme events. We propose to address the above scientific challenges by using machine learning (ML)-based data-driven modeling techniques to integrate observations and physically-based ESMs’ simulations in a computationally efficient hybrid prediction system. This prediction system is supposed to characterize the wildfire’s sensitivity to climate and exogenous drivers at high resolution (~ 0.25°) on subseasonal to seasonal (S2S) timescales providing improved predictability and explainability. We will use the system to help identify: (1) What are the computational elements of a hybrid system needed to predict compound climate extreme events such as global wildfires? (2) What are the key drivers (either natural or anthropogenic) that modulate short-term variations of multivariate fire weather and burning activity over different regions? How can one take advantage of those driver-response relationships to improve the predictability of large wildfires on S2S time scales? (3) What are the underlying physical mechanisms and sources of improved predictability? Which ML techniques are optimal in revealing and adapting these mechanisms?

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Anthropogenic climate change impacts exacerbate summer forest fires in California

Record-breaking summer forest fires have become a regular occurrence in California. Observations indicate a fivefold increase in summer burned area (BA) in forests in northern and central California during 1996 to 2021 relative to 1971 to 1995. While the higher temperature and increased dryness have been suggested to be the leading causes of increased BA, the extent to which BA changes are due to natural variability or anthropogenic climate change remains unresolved. Here, we develop a climate-driven model of summer BA evolution in California and combine it with natural-only and historical climate simulations to assess the importance of anthropogenic climate change on increased BA. Our results indicate that nearly all the observed increase in BA is due to anthropogenic climate change as historical model simulations accounting for anthropogenic forcing yield 172% (range 84 to 310%) more area burned than simulations with natural forcing only. We detect the signal of combined historical forcing on the observed BA emerging in 2001 with no detectable influence of the natural forcing alone. In addition, even when considering fuel limitations from fire-fuel feedbacks, a 3 to 52% increase in BA relative to the last decades is expected in the next decades (2031 to 2050), highlighting the need for proactive adaptations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Advanced Structured Adsorbent Architectures for Transformative Carbon Dioxide Capture Performance (Final Report)

Svante is a world leader at using solid sorbents for low-cost Carbon Dioxide (CO 2 ) capture, a technology which is recognized as critical in meeting the dual mandates of energy security/reliability and the mitigation of man-made CO 2 emissions. Svante has been developing proprietary adsorbent material compositions, forming them into structured laminates, developing and optimizing process cycles, and system design for efficient capture of CO 2 from post-combustion flue gases of thermal power plants and industrial facilities. The deployment of first-generation CO 2 capture technology has been significantly hampered by high costs and energy penalties, among other barriers. Second generation CO 2 capture technologies (including the Mark I variant of Svante’s Veloxotherm™ adsorption-based technology), utilizing single adsorbent architecture, show promise for reducing the barriers to deploying CO 2 capture plants in commercially meaningful numbers. The objective of this project was to evaluate the Recipient’s transformational (Mark-II) VeloxoTherm™ Technology via the development and bench-scale testing of an advanced structured adsorbent, including novel Bi-layer, laminated adsorbent structures and segmented beds. Svante selected, synthesized, and characterized tailored solid adsorbents for computational modeling, advanced structured adsorbent development, process simulations, and dynamic bench scale (~1-10 kg/day CO 2 captured) testing using an existing single-bed VeloxoTherm™ Station (VTS) coupled with a natural gas-fired boiler. Segmented beds used the in-house, multi-bed Process Demonstration Unit (PDU) to demonstrate key performance indicators (KPIs), such as recovery, product purity, regeneration energy, and the integrated system's productivity in lifetime analysis. Segmented beds were used at a 1 tonne per day (TPD) unit at an industrial site to provide bench-scale validation of performance in an industrial setting. Svante was developing and optimizing the post-combustion CO 2 adsorption technology architectures, including the Bi-layer and segmented laminated adsorbent structure design, integrated rapid cycle temperature swing adsorption (RC-TSA) cycle, flow path architecture, and adsorbent bed construction and packaging (including gas porting) to progress towards achievement of DOE’s Transformational CO 2 Capture goals of 95% CO 2 purity and a cost of electricity at least 30% lower than a supercritical Pulverized Coal (PC) power plant with CO 2 capture, or approximately $30 per tonne of CO 2 captured ready for demonstration by 2030. The main requirements to reach the DOE target cost of carbon capture below $30/MT using Rapid-Cycling Temperature Swing Adsorption (RC-TSA) are as follows: (1) Increased capacity at different CO 2 concentrations, (2) Increased sorbents cycle life, (3) Increased O 2 resistance, and (4) Decreased steam requirement to extract 1 kg of CO 2 .

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2015

Low-pressure

This final technical progress report describes work conducted by Membrane Technology and Research, Inc. (MTR) for the Department of Energy (DOE NETL) on development of low-pressure membrane contactors for carbon dioxide (CO 2 ) capture from power plant flue gas (award number DE-FE0007553). The work was conducted from October 1, 2011 through September 30, 2014. The overall goal of this three-year project was to build and operate a prototype 500 m 2 low-pressure sweep membrane module specifically designed to separate CO 2 from coal-fired power plant flue gas. MTR was assisted in this project by a research group at the University of Toledo, which contributed to the computational fluid dynamics (CFD) analysis of module design and process simulation. This report details the work conducted to develop a new type of membrane contactor specifically designed for the high-gas-flow, low-pressure, countercurrent sweep operation required for affordable membrane-based CO 2 capture at coal power plants. Work for this project included module development and testing, design and assembly of a large membrane module test unit at MTR, CFD comparative analysis of cross-flow, countercurrent, and novel partial-countercurrent sweep membrane module designs, CFD analysis of membrane spacers, design and fabrication of a 500 m 2 membrane module skid for field tests, a detailed performance and cost analysis of the MTR CO 2 capture process with low-pressure sweep modules, and a process design analysis of a membrane-hybrid separation process for CO 2 removal from coal-fired flue gas. Key results for each major task are discussed in the report.

42 ENGINEERING↗

DOE OSTI2013

Monitoring Soil Erosion on a Burned Site in the Mojave-Great Basin Transition Zone: Final Report for the Jacob Fire Site

A historic return interval of 100 years for large fires in the U.S. southwestern deserts is being replaced by one where fires may reoccur as frequently as every 20 to 30 years. The shortened return interval, which translates to an increase in fires, has implications for management of Soil Corrective Action Units (CAUs) and Corrective Action Sites (CASs) for which the Department of Energy, National Nuclear Security Administration Nevada Field Office has responsibility. A series of studies was initiated at uncontaminated analog sites to better understand the possible impacts of erosion and transport by wind and water should contaminated soil sites burn. The first of these studies was undertaken at the Jacob Fire site approximately 12 kilometers (7.5 miles) north of Hiko, Nevada. A lightning-caused fire burned approximately 200 hectares during August 6-8, 2008. The site is representative of a transition between Mojave and Great Basin desert ecoregions on the Nevada National Security Site (NNSS), where the largest number of Soil CAUs/CASs are located. The area that burned at the Jacob Fire site was primarily a Coleogyne ramosissima (blackbrush) and Ephedra nevadensis (Mormon tea) community, also an abundant shrub assemblage in the similar transition zone on the NNSS. This report summarizes three years of measurements after the fire. Seven measurement campaigns at the Jacob Fire site were completed. Measurements were made on burned ridge (upland) and drainage sites, and on burned and unburned sites beneath and between vegetation. A Portable In-Situ Wind Erosion Lab (PI-SWERL) was used to estimate emissions of suspended particles at different wind speeds. Context for these measurements was provided through a meteorological tower that was installed at the Jacob Fire site to obtain local, relevant environmental parameters. Filter samples, collected from the exhaust of the PI-SWERL during measurements, were analyzed for chemical composition. Runoff and water erosion were quantified through a series of rainfall/runoff simulation tests in which controlled amounts of water were delivered to the soil surface in a specified amount of time. Runoff data were collected from understory and interspace soils on burned ridge and drainage areas. Runoff volume and suspended sediment in the runoff were sampled; the particle size distribution of the sediment was determined by laboratory analysis. Several land surface and soil characteristics associated with runoff were integrated by the calculation of site-specific curve numbers. Several vegetation surveys were conducted to assess post-burn recovery. Data from plots in both burned and unburned areas included species identification, counts, and location. Characterization of fire-affected area included measures at both the landscape scale and at specific sites. Although wind erosion measurements indicate that there are seasonal influences on almost all parameters measured, several trends were observed. PI-SWERL measurements indicated the potential for PM 10 windblown dust emissions was higher on areas that were burned compared to areas that were not. Among the burned areas, understory soils in drainage areas were the most emissive, and interspace soils along burned ridges were least emissive. By 34 months after the burn (MAB), at the end of the study, emissions from all burned soil sites were virtually indistinguishable from unburned levels. Like the amount of emissions, the chemical signature of the fire (indicated by the EC-Soil ratio) was elevated immediately after the fire and approached pre-burn levels by 24 MAB. Thus, the potential for wind erosion at the Jacob Fire site, as measured by the amount and type of emissions, increased significantly after the fire and returned to unburned levels by 24 MAB. The effect of fire on the potential for water erosion at the Jacob Fire site was more ambiguous. Runoff and sediment from ridge interspace soils and unburned interspace soils were similar throughout the study period. Seldom, if ever, did runoff and sediment occur in burned drainage area soils. For burned soils where runoff occurred at 1 MAB, the sediment size was finer than on unburned sites, but this effect disappeared by 3 MAB. For the three year study under the conditions tested at the Jacob Fire site, the potential for water erosion appeared relatively unaffected by the fire. Vegetation responses were documented for each year following the fire. By the end of the study, there was a substantial difference in plant densities and richness between drainage and ridge sites. Cheatgrass densities were higher in unburned plots, and cheatgrass was also more dominant in the community composition in unburned plots. Cheatgrass had increased in the burned area but so did other native species. Three years after the fire, the burned landscape continued to revegetate but had yet to approximate the condition of an unburned landscape. The results from the vegetation surveys support the wind erosion results, where the primary source of windborne particles originate from the understory, where lower plant diversity and densities were found. The soil appears to be more resilient and have a much shorter recovery time than the vegetation in this particular community.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

COMMERCIALIZATION OF AN ATMOSPHERIC IRON-BASED CDCL PROCESS FOR POWER PRODUCTION. PHASE I: TECHNOECONOMIC ANALYSIS

Coal Direct Chemical Looping (CDCL) is an advanced oxy-combustion technology that has potential to enable substantial reductions in the cost and energy penalty associated with carbon dioxide (CO2) capture from coal-fired power plants. Through collaborative efforts, the Babcock & Wilcox Power Generation Group (B&W) and The Ohio State University (OSU) developed a conceptual design for a 550 MWe (net) supercritical CDCL power plant with greater than 90% CO2 capture and compression. Process simulations were completed to enable an initial assessment of its technical performance. A cost estimate was developed following DOE’s guidelines as outlined in NETL’s report “Quality Guidelines for Energy System Studies: Cost Estimation Methodology for NETL Assessments of Power Plant Performance”, (2011/1455). The cost of electricity for the CDCL plant without CO2 Transportation and Storage cost resulted in $ $102.67 per MWh, which corresponds to a 26.8 % increase in cost of electricity (COE) when compared to an air-fired pulverized-coal supercritical power plant. The cost of electricity is strongly depending on the total plant cost and cost of the oxygen carrier particles. The CDCL process could capture further potential savings by increasing the performance of the particles and reducing the plant size. During the techno-economic analysis, the team identified technology and engineering gaps that need to be closed to bring the technology to commercialization. The technology gaps were focused in five critical areas: (i) moving bed reducer reactor, (ii) fluidized bed combustor, (iii) particle riser, (iv) oxygen-carrier particle properties, and (v) process operation. The key technology gaps are related to particle performance, particle manufacturing cost, and the operation of the reducer reactor. These technology gaps are to be addressed during Phase II of project. The project team is proposing additional lab testing to be completed on the particle and a 3MWth pilot facility be built to evaluate the reducer reactor performance among other aspects of the technology. A Phase II proposal was prepared and submitted to DOE. The project team proposed a three year program in Phase II. Year 1 includes lab testing and particle development work aimed at improving the chemical and mechanical properties of the oxygen carrier particle. In parallel, B&W will design the 3MWt pilot plant. Any improvements to the particle performance discovered in year 1 that would impact the design of the pilot will be incorporated into the final design. Year 2 will focus on procurement of materials and equipment, and construction of the pilot plant. Year 3 will include, commissioning, start-up, and testing in the pilot. Phase I work was successfully completed and a design and operating philosophy for a 550 MWe commercial scale coal-direct chemical looping power plant was developed. Based on the results of the techno-economic evaluation, B&W projects that the CDCL process can achieve 96.5% CO2 capture with a

Coal Combustion↗

DOE OSTI2018

A semi-empirical NO x model for LES in pulverized coal air-staged combustion

Numerical simulation of pulverized coal combustion with the large eddy simulation (LES) method can provides important instructions on the design optimization of boilers. Because of its huge computational cost, a simple but reliable NO x prediction model is required in LES. Through the air-staged combustion experiments of six kinds of coals which conducted in an electric heated down-fired furnace (DFF), the relationship between NO x reduction and CO+H 2 generation in the fuel-rich zone was identified. Based on this observation, a semi-empirical modeling strategy was proposed: instead of CHi which is difficult to calculate, the concentration of CO+H 2 is used to quantify NO homogeneous reduction. An integrated NO x prediction model was proposed and implemented into LES simulation. Here, the results proved the new model can accurately predict different NO x evolution characteristics under various conditions. Furthermore, the comparison indicated the LES method performs better on NO x prediction than the RANS method, especially in the area where the turbulent fluctuation is relatively stronger.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Risk assessment and ventilation modeling for hydrogen releases in vehicle repair garages

The availability of repair garage infrastructure for hydrogen fuel cell vehicles is becoming increasingly important for future industry growth. Ventilation requirements for hydrogen fuel cell vehicles can affect both retrofitted and purpose-built repair garages and the costs associated with these requirements can be significant. A hazard and operability (HAZOP) study was performed to identify risk-significant scenarios related to light-duty hydrogen vehicles in a repair garage. Detailed simulations and modeling were performed using appropriate computational tools to estimate the location, behavior, and severity of hydrogen release based on key HAZOP scenarios. Here, this work compares current fire code requirements to an alternate ventilation strategy to further reduce potential hazardous conditions. Modeling shows that position, direction, and velocity of ventilation have a significant impact on the amount of instantaneous flammable mass in the domain.

08 HYDROGEN↗

DOE OSTI2021

Does Regional Hydroclimate Change Scale Linearly With Global Warming?

Many aspects of climate change scale linearly with global warming. However, nonlinear changes are possible, especially in the context of hydroclimate, and under emissions scenarios with stabilized global temperature, as aspired to by current climate targets. In CMIP5 and 6, a progressively larger land area shows nonlinear changes as a function of global warming when considering precipitation, evaporation, and soil moisture, with the latter showing nonlinearity over ~50% of global land. Here, using ensemble simulations with the Community Earth System Model 1, in which individual forcing factors are held constant, we illustrate how nonadditive responses to anthropogenic greenhouse gases and industrial and fire-related aerosols can yield complex soil moisture changes in certain regions. This complexity contributes to uncertainty in regional soil moisture projections and suggests that the timing of, as well as model response uncertainty to, future aerosol reductions will have significant impacts on regional hydroclimate change as global temperatures stabilize.

54 ENVIRONMENTAL SCIENCES↗