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At least 685 records · Page 38

Massive all-atom analysis of 2D materials with quantum properties (Final report)

Improvements in microscopy have enabled the acquisition of data at a scale that is difficult to process manually, making automated machine learning approaches to analyzing experimental images essential. In this project, we developed and applied machine learning (ML) workflows for atomic resolution scanning transmission electron microscopy (STEM) images. This development included improving both methodology as well as generating user-friendly codes. We developed machine learning architectures which, after training, automatically identify the location and types of defects throughout a material. We used these data to produce class-averaged images of 2D atomic coordinates with up to 0.3 pm precision, uncovering the structure and oscillations of long-range strain fields around point defects in WSe 2-2x Te 2x . We also resolved a long-standing problem in this field in the training of ML models, a lack of labeled experimental data, by developing a cycle-GAN that transformed simulated-generated labeled data into labeled data indistinguishable from experiment and therefore suitable for training. This removed the remaining parts of the ML data processing workflow where human intervention was still critical and therefore a bottleneck to working at scale. Codes have been developed and released for this full machine learning workflow. ML approaches to partially automate STEM acquisition were also developed. Finally we applied ML and other advanced data processing methods to several materials science problems in two-dimensional materials, including studying the evolution of hyperuniformity with defect concentration in WSe2, understanding phase transformations in transition metal dichalcogenides during in-situ heating in the STEM, and exploring how 2D interfaces transform from twisted into aligned structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Deer Park Energy Center Natural Gas Combined Cycle Carbon Capture System Front-End Engineering Design Study (Final Scientific/Technical Report – Unlimited)

Calpine Texas CCUS Holdings, LLC (Calpine), Shell Catalysts & Technologies (SCT), Technip Energies (TEN), and Sargent & Lundy, LLC (S&L) have conducted a Front-End Engineering Design (FEED) Study to integrate a new carbon capture system at Calpine’s Deer Park Energy Center (DKEC). The DKEC facility is a nominal 1200 MW gas-fired co-generation power plant situated at the Shell Chemical Manufacturing (Shell) Facility located in Deer Park, Texas. Steam is produced for use by the adjacent Shell Chemical Manufacturing Facility as well as by the onsite steam turbine for electrical generation. The power output from DKEC is provided to the Electric Reliability Council of Texas (ERCOT) operated power grid. DKEC provides power to industrial and commercial customers via this interconnection.

03 NATURAL GAS↗

A section 110 evaluation of the 10,500-foot blast line civil effects structures and military trenches associated with the apple-2 test, area 1, nevada national security site, nye county, nevada

The U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office (NNSA/NFO) has tasked Desert Research Institute (DRI) with identifying and evaluating additional resources that contribute to the significance of the Apple-2 Historic District as part of a Section 110 effort. Apple-2 was a 1955 atmospheric test in which the Federal Civil Defense Administration (FCDA) conducted an extensive civil effects program named Operation Cue. The objective of Operation Cue was to understand the blast and thermal effects of the test by using a simulated community of residential buildings, industrial structures, utilities, and commercial equipment arranged at various distances from ground zero (GZ). Military operations conducted by the Department of Defense (DoD) as part of the Desert Rock VI exercise were also associated with the Apple-2 test. The Apple-2 Historic District was originally defined in 2000 by Johnson and Edwards as 15 highly visible contributing elements dispersed across the landscape. Since its original recording, DRI has conducted additional archival research and this report details the identification and evaluation results of testing-related material remains at a distance of 10,500 ft from the Apple-2 GZ. Between 2017 and 2020, DRI conducted fieldwork at 10,500 ft from the Apple-2 GZ, revisited previously recorded contributing elements, and identified and evaluated newly recorded resources associated with Operation Cue as well as DoD operations. In total, DRI revisited or newly identified 15 principal resources. Of these, 13 are located within the historic district and contribute to the district’s significance. A set of military trenches and the associated material remains are discontiguous from the district, but also contribute to the district’s significance.

54 ENVIRONMENTAL SCIENCES↗

Using aircraft measurements to characterize subgrid-scale variability of aerosol properties near the Atmospheric Radiation Measurement Southern Great Plains site

Abstract. Complex distributions of aerosol properties evolve in space and time as a function of emissions, new particle formation, coagulation, condensational growth, chemical transformation, phase changes, turbulent mixing and transport, removal processes, and ambient meteorological conditions. The ability of chemical transport models to represent the multi-scale processes affecting the life cycle of aerosols depends on their spatial resolution since aerosol properties are assumed to be constant within a grid cell. Subgrid-scale-dependent processes that affect aerosol populations could have a significant impact on the formation of particles, their growth to cloud condensation nuclei (CCN) sizes, aerosol–cloud interactions, dry deposition and rainout and hence their burdens, lifetimes, and radiative forcing. To address this issue, we characterize subgrid-scale variability in terms of measured aerosol number, size, composition, hygroscopicity, and CCN concentrations made by repeated aircraft flight paths over the Atmospheric Radiation Measurement (ARM) program's Southern Great Plains (SGP) site during the Holistic Interactions of Shallow Clouds, Aerosols and Land Ecosystem (HI-SCALE) campaign. Subgrid variability is quantified in terms of both normalized frequency distributions and percentage difference percentiles using grid spacings of 3, 9, 27, and 81 km that represent those typically used by cloud-system-resolving models as well as the current and next-generation climate models. Even though the SGP site is a rural location, surprisingly large horizontal gradients in aerosol properties were frequently observed. For example, 90 % of the 3, 9, and 27 km cell mean organic matter concentrations differed from the 81 km cell around the SGP site by as much as ∼ 46 %, large spatial variability in aerosol number concentrations and size distributions were found during new particle formation events, and consequently 90 % of the 3, 9, and 27 km cell mean CCN number concentrations differed from the 81 km cell mean by as much as ∼ 38 %. The spatial variability varied seasonally for some aerosol properties, with some having larger spatial variability during the spring and others having larger variability during the late summer. While measurements at a single surface site cannot reflect the surrounding variability of aerosol properties at a given time, aircraft measurements that are averaged within an 81 km cell were found to be similar to many, but not all, aerosol properties measured at the ground SGP site. This analysis suggests that it is reasonable to directly compare most ground SGP site aerosol measurements with coarse global climate model predictions. In addition, the variability quantified by the aircraft can be used as an uncertainty range when comparing the surface point measurements with model predictions that use coarse grid spacings.

54 ENVIRONMENTAL SCIENCES↗

Evaluating Nationwide Supply Chain for Circularity of PET and Olefin Plastics

PET (Polyethylene Terephthalate, #1) and olefin plastics including HDPE (High Density Polyethylene, #2), LDPE/LLDPE (Low Density/Linear Low-Density Polyethylene, #4) and PP (Polypropylene, #5) together comprise nearly 80% of the U.S. plastic market. Due to their high market share and extensive application in packaging these polymers have better potential for circularity than other polymer types. To understand the potential of future scenarios with higher recycling rates, supply chain scenarios for PET and olefin plastic packaging need to be analyzed with increased availability and collection of plastics. Currently there exists a knowledge gap to understand the circular supply chain on a national level. Performing a nationwide analysis introduces certain challenges such as variability in the plastic mix of the recycling stream in different municipalities, lack of collection of some types of plastics, regional differences in cost and estimating a national supply curve based on state level access rate and participation rate. Currently, a limited number of Plastic Reclaimers recycle the nation’s collected plastic involving transportation over long distances surpassing state boundaries. Modeling a nationwide scenario instead of regional/state based scenario will facilitate transportation beyond state boundaries for the development of a circular economy. A Mixed-integer Linear Programming model was developed, to identify the optimal location and capacity of the Material Recovery Facilities (MRFs) nationwide subject to maximizing the profit margin of the industrial entities within the model. We considered three different scenarios including the base case scenario (S1) collecting 2.27 million metric tons/year as well as two additional scenarios with available plastic supply of 1.8 times (S2) and 2.2 times (S3) of the base case scenario. The model identified 166, 275 and 319 counties as potential MRF locations for scenarios S1, S2 and S3 respectively. Compared to the existing number of counties having MRFs in the US, the model results indicated a reduction of 38% of MRFs for S1. For S2 and S3, the number of counties with MRFs increased 3% and 20% respectively compared to counties currently with MRFs. The average profit remains constant between $180-$181/ton regardless of the increased plastic collection.

54 - ENVIRONMENTAL SCIENCES/GLOBAL CLIMATE CHANGE ↗

Milone eTape Liquid Level Sensor Laboratory Calibration with a Commercial 12.2 cm HS-Flume and 3D Printed 4 cm Micro-HS-Flumes

The NGEE Arctic Rainfall Simulator (NARS) is a variable intensity rainfall simulator (RFS) with a frame design based on the Humphry et al. (2002) RFS and a water delivery system based on the Walnut Gulch (Paige et al., 2004) RFS. The NARS uses an aluminum frame that is fully deconstructable for transportation to field locations and a water system that enables variable rain intensity. Prior to field deployment, H-flume discharge and the corresponding Milone eTape Liquid Level Sensor (eTape) resistance values were measured in the laboratory so that discharge measurements from the NGEE Arctic Rainfall Simulator could be automated. eTape resistance was measured with increasing fluid heights for the full range of the eTape to calculate sensor detection limits and resolution. The eTape was calibrated to both a commercially available 12.2 cm HS-flume and a 3D printed 4 cm Micro-HS-flume. This data package contains two .csv files, one for the eTape calibration and the other for the flume calibrations, and two .stl files to 3D print the 4 cm Micro-HS-Flume design with a 1 cm x 3.6 cm stilling well opening. The .stl files can be opened in most 3D printing or CAD programs/software. Two .kml files of the laboratory location and broader area where testing was conducted are also included in this data package.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

A Frequency-Domain-Based Algorithm for Detecting Microseismicity Using Dense Surface Seismic Arrays

We propose a new frequency-domain-based algorithm for detecting small-magnitude seismic events using dense surface seismic arrays. Our proposed method takes advantage of the high energy carried by S waves, and approximate known source locations, which are used to rotate the horizontal components to obtain the maximum amplitude. By surrounding the known source area with surface geophones, we achieve a favorable geometry for locating the detected seismic events with the backprojection method. To test our new detection method, we used a dense circular array, consisting of 151 5 Hz three-component geophones, over a 5 km aperture that was in operation at the Utah Frontier Observatory for Research in Geothermal Energy (FORGE) in southcentral Utah. We apply the new detection method during a small-scale test injection phase at FORGE, and during an aftershock sequence of an Mw 4.1 earthquake located ~30 km north of the geophone array, within the Black Rock volcanic field. We are able to detect and locate microseismic events (Mw<0) during injections, despite the high level of anthropogenic activity, and several aftershocks that are missing from the regional catalog. By comparing our method with known algorithms that operate both in the time and frequency domain, we show that our proposed method performs better in the case of the FORGE injection monitoring, and equally well for the off-array aftershock sequence. Our new method has the potential to improve microseismic event detections even in extremely noisy environments, and the proposed location scheme serves as a direct discriminant between true and false detections.

Geochemistry & Geophysics↗

Utah FORGE: Reports on Northwestern Nevada Well Doublet Drilling and Testing by Fervo Energy

These reports review Fervo Energy's construction of a commercial enhanced geothermal system (EGS). Fervo has qualified full functionality of the system through production testing at commercially relevant operating conditions. The project site is located in a nearfield setting adjacent to an operating geothermal power station in north-central Nevada and is designed to deliver an uplift in high-temperature geothermal flow rates to increase the power capacity at the facility. The project involved drilling a first-of-a-kind EGS horizontal doublet well system consisting of an injection and production well pair within a high-temperature hard-rock geothermal formation. The lithology of the target reservoir is characterized as a mixed metasedimentary and igneous formation, comprised of phyllite, quartzite, diorite, and granodiorite, representative of the geology across the most prospective geothermal areas throughout the western US. This work included a 16-stage plug-and-perforate stimulation treatment which was the first of its kind in a high-temperature mixed metasedimentary and granitic formation in a fully horizontal doublet geothermal well.

15 GEOTHERMAL ENERGY↗

Utah FORGE 1-2409: Zonal Isolation Solution for Geothermal Wells - Workshop Presentation

This is a presentation on the Zonal Isolation Solution for Geothermal Wells project by PetroQuip Energy Services, presented by VP of operations Robert Coon. The project's objective was to design and develop a multi-stage system for zonally isolating fluids inside and outside of geothermal well casings. This presentation was featured in the Utah FORGE R&D Annual Workshop on September 7, 2023. The workshop provided a valuable opportunity to explore the progress made in each of the 17 Research and Development projects funded under Solicitation 2020-1 which aim to enhance our understanding of the crucial factors influencing the development of Enhanced Geothermal Systems (EGS) reservoirs and resources.

15 GEOTHERMAL ENERGY↗

Oil and Natural Gas Development near and beneath Uranium Tailings Cells and Other Remediated Sites - 20358

DOE LM is responsible for maintaining remedies at more than 50 remediated sites that require active long-term surveillance and maintenance (LTS and M). Institutional controls (ICs) were established to limit human and environmental exposures to residual contamination by controlling land use, restricting access to potential hazards, and making the public aware of potential dangers from the residual contamination. ICs for each site were developed based on current and foreseeable conditions; however, these controls should evolve to mitigate potential human health and other environmental risks from unanticipated changes in activities or site conditions. Activities conducted beyond the DOE long-term care boundaries by non-DOE parties may impact the effectiveness of ICs or even the long-term stability of disposal cells and groundwater remedies. Several sites that LM manages or that will transfer to LM for LTS and M are in active oil and gas production basins. The sites are associated with uranium ore milling or nuclear test sites and have been remediated or are in the process of remediation and have no ongoing DOE mission. Particularly since 2005, hydraulic fracturing ('fracking') combined with directional drilling has dramatically increased oil and natural gas (oil/gas) production in the United States, now making it the number one hydrocarbon-producing country. Fracking has allowed production from shale and other rocks of low natural permeability that were historically not considered viable oil/gas resources. Also, because wellbores can now be drilled as many as 5 kilometers or more horizontally, hydrocarbons can be recovered from zones without having access to the surface above them. Drilling activity near Rulison, Colorado, the location of an underground nuclear detonation managed by LM, has raised public concerns that remnant radioactivity in the detonation zone could migrate to producing wells and enter the natural gas distribution system. At sites like the Falls City, Texas, Disposal site, transitioned to LM with a split estate, increased production in the region has resulted in wellbores beneath the long-term care boundary of the site. While the DOE license for Falls City was approved by the NRC in 1997 without the acquisition of the subsurface rights, NRC has raised concerns on whether this activity impacts the integrity of the cell and/or groundwater remedies. In Wyoming, LM is anticipating receiving the license for the Bear Creek site and manages the Spook site, both locations of uranium mill tailings disposal cells. These Wyoming sites are in an active region of major oil and gas development. This change in surrounding land use will require LM to work collaboratively with NRC to address these concerns. At several DOE sites radioactive waste, and often intermixed nonradioactive constituents, is permanently isolated in engineered disposal cells. At other sites, residual contamination can be present in groundwater, blast cavities, and infinite amounts within soil. Areas targeted for oil and gas development at the Texas and Wyoming sites range from depths of 2440 to 3350 meters (8000-11000 feet) below ground surface. When most site remedies were designed, oil and gas development was not considered to be an issue within the site boundary. With the more recent uses of directional drilling, fracking, and associated wastewater injections, the evaluative criteria for incoming sites and ICs for managing long-term protectiveness and regulatory compliance are changing. Although DOE surface ownership was previously thought to be a robust IC to prevent surface and subsurface development, particularly at disposal sites, that may no longer be the case. Whereas the subsurface development at Texas and Wyoming sites is currently occurring at thousands of meters beneath the surface, shallower and direct onsite development would be more of a concern for LM. The energy introduced when a well is hydraulically fractured causes microseismic events (magnitude -2 to 1.0) as the fractures propagate but does not directly cause seismic events (earthquakes) of sufficient magnitude to damage surface structures. Additionally, the extent of the hydraulic fractures is limited to the targeted depths, which are far below the surface. However, earthquakes of sufficient magnitude to damage surface structures have been attributed to the injection of wastewater into disposal wells. States that have experienced these effects have enacted regulations that limit the rate and pressures that wastewater can be injected into disposal wells. Items LM may consider are the need for monitoring the volume of water injected into nearby disposal wells and possibly installing seismic stations at sites most susceptible to damage. While the need to demonstrate that no impact from oil and gas extraction activities on a site groundwater remedy or disposal cells will vary from site to site, LM is assessing risk criteria for this activity. Though LM has not experienced an issue yet at a uranium tailings disposal site, it cannot assume that there will be none, and must address NRC concerns. LM is building on past experiences at other sites and beginning to form new processes with the hope that these concepts can be applied for other future sites. (authors)

04 OIL SHALES AND TAR SANDS↗

A single-point modeling approach for the intercomparison and evaluation of ozone dry deposition across chemical transport models (Activity 2 of AQMEII4)

A primary sink of air pollutants and their precursors is dry deposition. Dry deposition estimates differ across chemical transport models, yet an understanding of the model spread is incomplete. Here, we introduce Activity 2 of the Air Quality Model Evaluation International Initiative Phase 4 (AQMEII4). We examine 18 dry deposition schemes from regional and global chemical transport models as well as standalone models used for impact assessments or process understanding. We configure the schemes as single-point models at eight Northern Hemisphere locations with observed ozone fluxes. Single-point models are driven by a common set of site-specific meteorological and environmental conditions. Five of eight sites have at least 3 years and up to 12 years of ozone fluxes. The interquartile range across models in multiyear mean ozone deposition velocities ranges from a factor of 1.2 to 1.9 annually across sites and tends to be highest during winter compared with summer. No model is within 50 % of observed multiyear averages across all sites and seasons, but some models perform well for some sites and seasons. For the first time, we demonstrate how contributions from depositional pathways vary across models. Models can disagree with respect to relative contributions from the pathways, even when they predict similar deposition velocities, or agree with respect to the relative contributions but predict different deposition velocities. Both stomatal and nonstomatal uptake contribute to the large model spread across sites. Our findings are the beginning of results from AQMEII4 Activity 2, which brings scientists who model air quality and dry deposition together with scientists who measure ozone fluxes to evaluate and improve dry deposition schemes in the chemical transport models used for research, planning, and regulatory purposes.

54 ENVIRONMENTAL SCIENCES↗

Registration of ‘Independence’ switchgrass

Switchgrass (Panicum virgatum L.), a valuable forage and bioenergy crop, is established more easily than other native perennial warm-season grasses, but its establishment is still slower than that of annual crops. Vigorous switchgrass establishment is crucial for achieving its full potential yield and for effectively competing with weeds for water and nutrient availability. To satisfy this demand, ‘Independence’ (Reg. no. CV-295, PI 704577) switchgrass was developed at the University of Illinois at Urbana-Champaign. Independence was selected for establishment vigor, winter survivorship, and high biomass yield for two cycles from ‘Kanlow’. Here, it is characterized by rapid establishment, robust seedling growth, and the capacity to achieve peak production by the second year. Independence is well adapted to USDA hardiness zones 5b–7b. In field experiments conducted from 2016 to 2017, averaged over seven locations and all years, Independence annually yielded 13 Mg ha –1 of biomass, outperforming ‘Cave-in-Rock’ by 31%, ‘Liberty’ by 15%, ‘Shawnee’ by 42%, ‘Summer’ by 81%, and ‘Sunburst’ by 129%. In wet marginal sites in Illinois from 2020 to 2023, Independence exhibited an average biomass yield of 12 Mg ha –1 , outperforming Shawnee by 31%, Liberty by 27%, and Kanlow by 19%, indicating its potential use on less productive land for annual crops. Independence was publicly released by the University of Illinois at Urbana-Champaign in October 2021.

09 BIOMASS FUELS↗

Collisions of localized shocks and quantum circuits

We study collisions between localized shockwaves inside a black hole interior. We give a holographic boundary description of this process in terms of the overlap of two growing perturbations in a shared quantum circuit. The perturbations grow both exponentially as well as ballistically. Due to a competition between different physical effects, the circuit analysis shows dependence on the transverse locations and exhibits four regimes of qualitatively different behaviors. On the gravity side we study properties of the post-collision geometry, using exact calculations in simple setups and estimations in more general circumstances. We show that the circuit analysis offers intuitive and surprisingly accurate predictions about gravity computations involving non-linear features of general relativity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Localization of deformation in fluid-saturated sandstone

Herein we discuss a laboratory study of inelastic deformation and localization was conducted to evaluate microseismicity and fracture in fluid-saturated rock. Plane strain compression experiments were performed on oil- and water-saturated Berea sandstone under dry, drained, undrained, and quasi-unjacketed conditions. Parameters associated with the elastic and inelastic material response were accurately measured and used in a constitutive model to predict localization of deformation under the drained and undrained conditions. Acoustic emission (AE) activity was recorded and the onset of inelastic response in fluid-saturated rock, similar to dry rock, coincided with an increase in AE rate. Fracture initiation and propagation were successfully monitored by AE locations. Clustering of AE events and the start of inhomogeneous deformation inferred from displacement measurements are shown to be well correlated with the model prediction of the onset of localized deformation under various rock-fluid interaction conditions.

42 ENGINEERING↗

Flash Freeze Flow Tube to Vitrify Aerosol Particles at Fixed Relative Humidity Values

Development of methods to measure the phase transitions and physical properties of submicron atmospheric aerosol particles is needed to better model these systems. Here, we introduce a method to flash freeze submicron particles to measure phase transitions as a function of relative humidity (RH). Particles are equilibrated at a fixed RH, vitrified in a temperature-controlled flow tube, and imaged with cryogenic transmission electron microscopy (cryo-TEM). We demonstrate the use of the technique for measuring the efflorescence relative humidity (ERH) of potassium sulfate and potassium chloride aerosol as well as the separation RH for a multicomponent organic/inorganic system that undergoes liquid-liquid phase separation (LLPS). The location of phase transitions can shift between the micrometer and nanometer size regimes and particles in a given population may have a range of RH over which a phase transition occurs. This technique addresses these requirements by allowing for characterization of the phase transitions for individual particles in a population on the submicron scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Open‐Source, Physics‐Based, Tropical Cyclone Downscaling Model With Intensity‐Dependent Steering

Abstract An open‐source, physics‐based tropical cyclone (TC) downscaling model is developed, in order to generate a large climatology of TCs. The model is composed of three primary components: (a) a random seeding process that determines genesis, (b) an intensity‐dependent beta‐advection model that determines the track, and (c) a non‐linear differential equation set that determines the intensification rate. The model is entirely forced by the large‐scale environment. Downscaling ERA5 reanalysis data shows that the model is generally able to reproduce observed TC climatology, such as the global seasonal cycle, genesis locations, track density, and lifetime maximum intensity distributions. Inter‐annual variability in TC count and power‐dissipation is also well captured, on both basin‐wide and global scales. Regional TC hazard estimated by this model is also analyzed using return period maps and curves. In particular, the model is able to reasonably capture the observed return period curves of landfall intensity in various sub‐basins around the globe. The incorporation of an intensity‐dependent steering flow is shown to lead to regionally dependent changes in power dissipation and return periods. Advantages and disadvantages of this model, compared to other downscaling models, are also discussed.

Meteorology & Atmospheric Sciences↗

Predicting Thermal Excursions During in situ Oxidative Regeneration of Packed Bed Catalytic Fast Pyrolysis Catalyst

Ex situ catalytic fast pyrolysis (CFP) uses a secondary reactor to upgrade biomass pyrolysis vapors to stabilized CFP oils with reduced oxygen content. In one configuration, the secondary reactor is operated as a packed-bed swing reactor system which allows coke-deactivated beds to be decarbonized in situ while other beds remain online for vapor upgrading. In situ decarbonization must be done carefully to avoid irreversible deactivation and/or physical degradation of catalyst pellets. Given that packed bed reactors are well known to have poor heat transfer characteristics, this is a critical issue impacting scaleability and commercial viability of the technology. To predict thermal excursions during regeneration, finite element computational models have been built to assist in scaling up oxidative decarbonization of a Pt/TiO2 CFP catalyst (0.5 mm spheres) from a bench scale packed bed with 100 g of catalyst to a pilot scale packed bed with 2 kg of catalyst and internal cooling tubes. Based on transient measurements of outlet temperature and effluent CO2 concentration, and using an assumed coke profile and activation energy, this paper demonstrates that specific combinations of effective thermal conductivity and wall heat transfer coefficient can fit bench scale oxidative regeneration data equally well. For the upscaled 2 kg bed, four bench-scale “best fit” parameter pairs give different predictions for location and magnitude of thermal excursions, with the maximum computed bed temperature gradients ranging from 30 °C cm-1 to as high as 3000 °C cm-1. The larger the fraction of heat removal by conduction through the cooling tubes, the greater the differences between the parameter pairs. The modelling results presented in this paper cast doubt on the industrial viability of the proposed combination of catalyst, bed and regeneration process, and point to the need for alternate reactor designs. However, there is considerable uncertainly in some of the key model parameters. The reliability of model predictions can be increased by adding more temperature measurements at key bed locations, testing additional variations in process conditions, performing careful bed dissections to determine the true coke profile, and perhaps most importantly, directly measuring the effective thermal conductivity of the catalyst pellets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Model-Free Frequency Control Approach for Diesel-Wind Powered Microgrids

Islanded microgrids usually consist of diesel generators and renewable energy sources (RES) to reduce the operating cost. Such microgrids have shown values for powering remote locations, but introduced unique challenges for frequency control of the grid due to the variability of renewable energy as well as the decoupled design of converter interface in RES. So, supportive control in RES becomes mandatory in such networks. This paper proposes a new dynamic control strategy, based on model-free control (MFC) approach, to support the primary frequency control of such islanded microgrids. The practical values of MFC have been discussed in various domains due to its control capability without modeling procedure and its efficient computation. In particular, we consider the diesel-wind system and the proposed MFC strategy is utilized as an online controller, which computes supplementary control signals for the rotor-side converter of the available wind turbine generators (WTGs). The calculated input signals allow WTGs to respond to frequency variations and improve the frequency response of the system. The controller is implemented and verified using the modified IEEE 33-bus full nonlinear model of the three-phase diesel-wind system in Simulink. Simulation results show the enhanced frequency response from the MFC strategy.

Park, Byungkwon↗