Thermal Analysis, Compressibility, and Decomposition of Synthetic Bastnäsite-(La) to Lanthanum Oxyfluoride
Abstract not provided
Rowland, II, Richard L.↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Characterization of Intrinsic Fiber Optic Temperature Sensors by In-core and Furnace Testing
Increased research and development in nuclear technology has raised the demand for novel sensors and instrumentation to meet data objectives, and survive in different conditions and environments, beyond conventional light water reactor (LWR) environments. Expediting the deployment of advanced nuclear technologies by developing, demonstrating, and qualifying advanced reactor fuel forms necessitates a deeper understanding of how irradiation affects fuels and materials' performance. To achieve a more comprehensive understanding of fuels and materials performance, researchers require more specialized experiments and measurements. The demand for innovative sensors to support nuclear fuel development arises from the complexity of materials' behavior under irradiation and the challenges of deploying instrumentation in Material Test Reactors (MTRs) for irradiation tests. Additionally, measurements of material properties require integrated measurement systems to characterize thermal properties, mechanical properties, chemistry, and microstructure [1]. Among the potential measurement techniques, optical fiber-based sensors have been identified as potential sensors to measure different physical phenomena such as temperature, strain, pressure, and fluid level. Optical fiber sensors have the capability to provide multi-sensing and multiplexing instrumentation, allowing the measurement of different physical parameters within a single sensor configuration, and transmitting data collected at multiple locations through a single fiber. They offer immunity to electromagnetic interference, electrical passivity, compatibility with various sensing methodologies, and cost-effectiveness. Beyond their widespread use in telecommunications, silica fiber-based instruments are utilized in industrial applications, even at temperatures reaching 300?400°C, such as distributed temperature sensing in oil and gas recovery. The Department of Energy (DOE) is interested in using fiber optics to support fuel cycle development [2]. Fiber optics are an excellent candidate for harsh environment sensing, including sensing at very high temperatures (1900oC for sapphire optical fibers). Distributed fiber optic sensing has been deployed in other harsh environments like coal gasification plants [3]. Distributed strain sensing, which operates similarly to distributed temperature sensing, has been deployed to monitor underground mines and fibers have been imbedded in soil to monitor sink-hole development [4][5]. The application of fiber optic sensors to advanced reactor development is a promising area of research.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Biomining Critical Elements and Metals
The US government has identified 17 critical elements, including most rare earth elements (REEs), and metals, which are used extensively in consumer electronics as well as military and national security hardware. We are developing techniques for biomining these elements, the process of using microorganisms to extract critical elements from water, ores, and mine waste to fill these needs. Bioextraction is focusing on: 1) building on our first-year successes of identifying microbes that generate exudates that enhance the extraction of multivalent cations, 2) evaluating available phosphate solubilizing microbes to dissolve apatite and monazite, and 3) and biosurfactant producing microbes. Bioaccumulation efforts involves testing microbes that: 1) naturally release complex exudates that contain organic chelating agents, and 2) naturally accumulate or hyperaccumulate (wt-% levels) metals. Results from year one includes proof of concept that biosurfactant producing microorganisms can release REEs from select ores and that release of REEs is increased by the addition of glucose. Molecular results for microorganism profiling proved a population shift after addition of microorganisms. The study will culminate in a proof-of-concept demonstration, manuscripts, and the data needed for scaledup biomining of REEs.
36 MATERIALS SCIENCE↗
Rapid and Temporary Deployment of Fiber-Optic Arrays to Measure Surface Chemical Explosion Series with Distributed Acoustic Sensing
Rapid and temporary distributed acoustic sensing (DAS) deployments are crucial for accurately capturing the seismic wavefield following major events, such as earthquakes, or in anticipation of known events of interest, such as chemical explosions. We provide an overview of two DAS campaigns conducted in May and October 2024 to record the seismoacoustic waves generated by two series of surface chemical explosions in New Mexico, United States, involving 1- and 10-ton trinitrotoluene-equivalent charges. In both campaigns, we deployed approximately 2 km of fiber-optic cables in a dry riverbed, about 12 km east of the explosion sites. For the October campaign, seven geophones and two anemometers were collocated with the fiber. We describe the field deployments and present preliminary results from the recorded signals. Specifically, we cross analyze the data recorded in May and October, validate the DAS data with geophone measurements, and highlight the benefits of burying fibers to reduce wind noise and improve signal-to-noise ratios. This study demonstrates the potential of DAS to record the seismoacoustic waves generated by surface chemical explosions of varying sizes at distances of approximately 10 km from the source.
58 GEOSCIENCES↗
The synergy between stakeholders for cellulosic biofuel development: Perspectives, opportunities, and barriers
While understanding individual stakeholders' perspectives on the adoption and conversion to a biofuel-based landscape has been a subject of many previous studies on biofuels, there has been relatively little attention given to understanding how the interaction between multiple stakeholders involved in biofuel development could influence the widespread adoption of biofuel production. Here, this paper analyzes the key stakeholder interactions utilizing various data sources including survey results, social media posts, and empirical and theoretical analyses. An intensive review is conducted for a number of surveys and research papers on different aspects of biofuel development such as land use choices, biorefinery and transportation, infrastructure development, consumer priorities, environmental impacts, etc. Following that, a stakeholder synergy approach is applied to synthesizing typical responses of stakeholders, such as producers, consumers, biorefineries, rural communities, and the government, and discussing how their responses influence each other's decisions and the overall system performance. Based on the findings of inadequate stakeholder synergy, it is recommended that new surveys and further research should be conducted to understand why synergy between stakeholders in biofuel development is absent. Additionally, this paper provides research perspectives, including (1) applying cutting-edge text-mining techniques to conduct sentiment analysis, and research and public attention analysis; (2) using an agent-based model to simulate stakeholder interactions and understand the factors that influence stakeholder synergy and the emergence of a bioeconomy.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Deuterium Extraction from Helium with a Vanadium Vacuum Permeator: Commissioning of the Tritium Extraction eXperiment (TEX)
Here, the Tritium Extraction eXperiment (TEX) is a forced-convection lead-lithium (PbLi) loop in the Safety and Tritium Applied Research (STAR) facility at Idaho National Laboratory (INL) with the purpose of providing validation data for the vacuum permeator tritium extraction concept. A vanadium tube of 1000 mm length, 12.7 mm outside diameter, and 0.50 mm wall thickness is installed in the test section of TEX. The installed vanadium tube is characterized to quantify impurity concentrations, surface chemistry, and microstructure to elucidate permeation phenomena observed in experimentation. Herein, the permeation properties of the vanadium tube are characterized by measuring deuterium permeation at 300 °C, 325 °C, and 350 °C at 100 kPa, 125 kPa, and 150 kPa total pressures with 5000 ppm deuterium in helium gas mixture in a once-through flow configuration. The hydrogen isotope permeation through the vanadium tube in the test section is measured with quadrupole mass spectrometers and the hydrogen isotope concentration in the feed and retentate gas stream is measured with gas chromatography. The transient permeation results are modeled with MELCOR-TMAP, a thermal-hydraulic tritium transport code, and compared well with literature data.
70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Quantitative Assessment of Parent Well Effect on Hydraulic Fracture Propagation at HFTS2: Insights from Cross-Well Strain Measurements and Microseismic Data
Understanding fracture propagation behavior is essential for optimizing hydraulic fracturing in unconventional reservoirs. This study demonstrates the value of integrating Low-Frequency Distributed Acoustic Sensing (LF-DAS) and microseismic data, which together provide a more complete picture of fracture growth. Using data from Hydraulic Fracturing Test Site 2 (HFTS2), we identify stress changes in depletion zones induced by parent wells as a key factor influencing fracture propagation. This result is shown by new measurements of in-situ fracture propagation velocity and fracture-hit volume (fluid volume at fracture hit?) from LF-DAS and event density from microseismic. These findings highlight the importance of considering parent well effects, well spacing, and stimulation sequencing in completion design to improve reservoir development and production efficiency.
depletion zones↗
CORE-CM in The Greater Green River and Wind River Basins: Transforming and Advancing a National Coal Asset (Final Report)
The following document summarizes project results from “CORE-CM in the Greater Green River and Wind River Basins: Transforming and Advancing a National Coal Asset”. This project is part of the U.S. Department of Energy’s (“DOE”) National Energy Technology Laboratory’s (“NETL”) Carbon Ore, Rare Earth Elements, and Critical Minerals (CORE-CM) Initiative. This report concludes that the Greater Green River and Wind River Basins (GGRB-WRB) Area-of-Interest (AOI 9) is the ideal region for continued research and development in progressing the broader CORE-CM goals outlined by the DOE. Based upon the extensive analyses of technical, social, and community criteria, this report illustrates that the GGRB-WRB hosts numerous potential CORE-CM feedstocks (both coal- and non-coal based), diverse opportunities for utilizing existing industrial waste streams, ample infrastructure and industry to support new CORE-CM-focused technologies, and a highly motivated, well educated, and adaptable workforce to further develop the regional and national CORE-CM supply chain. Additionally, some potential solutions for technological gaps suggest that the GGRB-WRB's diverse resources can play a significant role in achieving the national goal of critical materials independence. With full community participation, meaningful involvement of regional Tribal Nations, and building upon the stakeholder engagement demonstrated here, the GGRB-WRB region presents a unique opportunity for advancing the CORE-CM Initiative. This project was designed to bring together coal-based communities and stakeholders from across the GGRB-WRB to advance new industries for CORE-CM resources. The University of Wyoming (UWyo) School of Energy Resources (SER) led a project team of experts from the Colorado Geological Survey (CGS), Colorado School of Mines (CSM), Los Alamos National Lab (LANL), and local community colleges. Input from basinal, regional, and national experts bolstered the coalition in order to advance the mission of DOE’s CORE-CM initiative and develop the domestic CORE-CM supply chain. Phase I of this project was designed to address the goal of developing and catalyzing economic growth, job creation, and technology innovation in the GGRB-WRB of Wyoming and Colorado, by increasing the supply of CORE-CM to manufacturers of non-fuel Carbon Based Products (CBP) and products reliant upon CM. The GGRB-WRB CORE-CM project worked toward providing benefit through several avenues of performance and research. • Develop a coalition team to achieve project objectives • Complete detailed assessments, including State-of-the-Art (SOTA) Data acquisition of potential CORE-CM materials across the AOI, and meaningfully contributes to DOE’s CORE-CM goals nationally. • Strategic planning for regional economic growth, job creation, and associated technology innovation around coal materials, including plans to maximize the development of potential CORE-CM resources and technology by creating regional public-private partnerships. • Define regional economic growth potential around existing strengths, energy infrastructure, business and industry, including planning for the leveraging of highly trained workforces, existing and novel coal technologies, and energy infrastructure in development of CORE-CM supply chains. • Develop a preliminary strategic plan for increasing the supply of CORE-CM materials to manufacturers of non-fuel Carbon Based Products (CBP) and products reliant upon CM, focusing on regional strengths that result in an emerging diversified CORE-CM economy. • Assemble a committed network of stakeholders and communities that learn about, accept, and grow new energy technologies within coal regions. Additionally, the project team significantly contributed to the CORE-CM Initiative’s national goals, through cross-regional scoping, collaborating with CORE-CM projects in other AOIs, and including parallel regional project experts. In addition to active inclusion and meaningful engagement and contribution to DOE-led working groups, the project team focused on engaging with regional communities including Tribal Nations, economic development groups, and regional government organizations. The project’s CORE-CM development and commercialization plan identified diverse CORECM feedstocks, potential routes towards integration with existing industries, methods for supply-chain development that leverage existing infrastructure and businesses considering the regional economy, identified entry barriers for incorporating traditional and new technologies in those supply chains, recognized opportunities for public-private partnerships to develop technology innovation centers, identified diverse workforces, and conducted stakeholder outreach and education to build a community of understanding on CORE-CM potential in the GGRB-WRB region. Detailed task descriptions can be found in each chapter.
01 COAL, LIGNITE, AND PEAT↗
What to Support When You’re Compressing
Over the last nearly 20 years, lossy compression has become an essential aspect of HPC applications’ data pipelines, allowing them to overcome limitations in storage capacity and bandwidth and, in some cases, increase computational throughput and capacity. However, with the adoption of lossy compression comes the requirement to assess and control the impact lossy compression has on scientific outcomes. In this work, we take a major step forward in describing the state of practice and by characterizing workloads. We examine applications’ needs and compressors’ capabilities across 9 different supercomputing application domains. We present 24 takeaways that provide best practices for applications, operational impacts for facilities achieving compressed data, and gaps in application needs not addressed by production compressors that point towards opportunities for future compression research.
Error-Bounded Lossy Compression↗
Implementation and Demonstration of the Digital Twin Certification System Remote Operations Framework
Microreactors are one promising advanced-reactor concept being pursued by the nuclear industry. They are distinguished by a relatively low power output of 20 MWth or less. These microreactors are intended for deployment in applications where conventional small-capacity power solutions, such as diesel generators, are either economically unfeasible or logistically challenging. Such applications include providing electric power and/or heat for remote communities, mining sites, defense installations, and humanitarian and disaster-relief missions. An important feature for the successful deployment of microreactors is their capability to be operated remotely. This capability can significantly reduce staffing costs by eliminating the need for licensed operators to be physically present at each reactor site. Instead, operators can be centralized in a single remote operations center placed in an economically advantageous location, thereby optimizing resources by consolidating expertise and enhancing operational efficiency. However, the implementation of a remote operation system for nuclear reactors raises new concerns regarding the security, reliability, and resilience of such a system. One way in which remote operations can be supported in a manner that maintains system security, reliability, and resilience is through the use of digital twins in a novel framework designed to verify and validate sensor data and commands communicated between the remote operations center and reactor. This framework, known as the Digital Twin Certification System (DTCS), has previously been proposed as an operations architecture that can bring security and resiliency levels of remote nuclear-reactor operations to a level acceptable for commercial deployment. This paper moves the proposed DTCS architecture from concept to reality by presenting the implementation and testing of the system. The rationale and implementation of the DTCS using tools such as DeepLynx and Apache Airflow, is covered in-depth. This is followed by a demonstration of the DTCS by applying the implemented system architecture to the Single Primary Heat Extraction and Removal Emulator, a small-scale non-nuclear test bed that emulates thermal behavior of a microreactor. The demonstration includes both normal and abnormal operating scenarios to highlight how the DTCS can increase the security, reliability, and resilience of a remote operations system.
22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
Implementation and Demonstration of the Digital Twin Certification System Remote Operations Framework
Microreactors are one promising advanced-reactor concept being pursued by the nuclear industry. They are distinguished by a relatively low power output of 20 MWth or less. These microreactors are intended for deployment in applications where conventional small-capacity power solutions, such as diesel generators, are either economically unfeasible or logistically challenging. Such applications include providing electric power and/or heat for remote communities, mining sites, defense installations, and humanitarian and disaster-relief missions. An important feature for the successful deployment of microreactors is their capability to be operated remotely. This capability can significantly reduce staffing costs by eliminating the need for licensed operators to be physically present at each reactor site. Instead, operators can be centralized in a single remote operations center placed in an economically advantageous location, thereby optimizing resources by consolidating expertise and enhancing operational efficiency. However, the implementation of a remote operation system for nuclear reactors raises new concerns regarding the security, reliability, and resilience of such a system. One way in which remote operations can be supported in a manner that maintains system security, reliability, and resilience is through the use of digital twins in a novel framework designed to verify and validate sensor data and commands communicated between the remote operations center and reactor. This framework, known as the Digital Twin Certification System (DTCS), has previously been proposed as an operations architecture that can bring security and resiliency levels of remote nuclear-reactor operations to a level acceptable for commercial deployment. This paper moves the proposed DTCS architecture from concept to reality by presenting the implementation and testing of the system. The rationale and implementation of the DTCS using tools such as DeepLynx and Apache Airflow, is covered in-depth. This is followed by a demonstration of the DTCS by applying the implemented system architecture to the Single Primary Heat Extraction and Removal Emulator, a small-scale non-nuclear test bed that emulates thermal behavior of a microreactor. The demonstration includes both normal and abnormal operating scenarios to highlight how the DTCS can increase the security, reliability, and resilience of a remote operations system.
22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
Using Fission-Track Radiography Coupled with Scanning Electron Microscopy for Efficient Identification of Solid-Phase Uranium Mineralogy at a Former Uranium Pilot Mill (Grand Junction, Colorado)
At a former uranium pilot mill in Grand Junction, Colorado, mine tailings and some subpile sediments were excavated to various depths to meet surface radiological standards, but residual solid-phase uranium below these excavation depths still occurs at concentrations above background. The combination of fission-track radiography and scanning electron microscope energy-dispersive X-ray spectroscopy (SEM-EDS) provides a uniquely efficient and quantitative way of determining mineralogic associations of uranium that can influence uranium mobility. After the creation of sample thin sections, a mica sheet is placed on those thin sections and irradiated in a nuclear research reactor. Decay of the irradiated uranium creates fission tracks that can be viewed with a microscope. The fission-track radiography images indicate thin section sample areas with elevated uranium that are focus areas for SEM-EDS work. EDS spectra provide quantitative elemental data that indicate the mineralogy of individual grains or grain coatings associated with the fission-track identification of elevated uranium. For the site in this study, the results indicated that uranium occurred (1) with coatings of aluminum–silicon (Al/Si) gel and gypsum, (2) dispersed in the unsaturated zone associated with evaporite-type salts, and (3) sorbed onto organic carbon. The Al/Si gel likely formed when low-pH waters were precipitated during calcite buffering, which in turn retained or precipitated trace amounts of Fe, As, U, V, Ca, and S. Understanding these mechanisms can help guide future laboratory and field-scale efforts in determining long-term uranium release rates to groundwater.
58 GEOSCIENCES↗
Probing neutrino emission at GeV energies from compact binary mergers with the IceCube Neutrino Observatory
The advent of multimessenger astronomy has allowed for new types of source searches by neutrino detectors. Here, we present the results of the search for 0.5–100 GeV astrophysical neutrinos detected with IceCube and emitted from compact binary mergers detected by the LIGO, Virgo, and KAGRA interferometers from their first run of observation (O1) to the end of the first part of the fourth (O4a). An innovative approach is used to lower the energy threshold to 0.5 GeV and to search for an excess of GeV neutrinos in time coincidence with astrophysical transient events. Furthermore, we use a statistical combination of all observations, a binomial test, to search for a subpopulation of neutrino emitters. No significant excess was found from the studied mergers, with a best post-trial 𝑝-value of 40%, and there is currently no hint of a population of GeV neutrino emitters found in the IceCube data (post-trial 𝑝−value=81%).
Abbasi, R. [Loyola University Chicago]↗
Direct Geologic Constraints on the Timing of Late Holocene Ice Thickening in the Amundsen Sea Embayment, Antarctica
Abstract Constraining past West Antarctic Ice Sheet (WAIS) change helps validate numerical models simulating future ice sheet dynamics. Following rapid deglaciation during the mid‐Holocene, ice near Thwaites Glacier was ∼35 m thinner than present; however, the timing of ice regrowth to its present configuration remains unknown. To fill this knowledge gap, we present cosmogenic nuclide exposure ages of cobbles from the surface of a moraine situated between Thwaites and Pope glaciers. We infer that the moraine formed and stabilized in the Late Holocene (∼1.4 ka) when a small glacier thickened. We also present a novel reconstruction of WAIS volume constrained by sea‐level data, which demonstrates that moraine formation coincided with a large‐scale WAIS readvance. Our new geologic constraints will help inform models of the solid Earth response to surface mass loading, improving our understanding of ice sheet dynamics in a vulnerable part of WAIS.
Nichols, Keir A. [Imperial College London London U↗
Investigation and Analysis of Dolomite Dissolution in Variable Strength Systems Relevant to the WIPP
The Waste Isolation Pilot Plant (WIPP) was opened in 1999 as a solution to the long-term disposal of the nation's nuclear defense-generated transuranic (TRU) waste. The salt beds were recommended as the ideal location because they are free from flowing fresh water, easily mined, impermeable, and geologically stable. However, for performance assessment modeling, release scenarios must be considered. The most likely release scenario was determined to be human intrusion leading to direct and/or long-term brine release (US DOE 1995, US DOE 1996, Perkins et al., 1999). The focus of this research is the Rustler formation because it is located above the WIPP and is the most transmissive layer (Perkins et al., 1999). Objective: To determine the effect of chelating ligands ( e.g. EDTA) on dissolution of dolomite in high ionic strength systems. Do brines impact dolomite dissolution and how is it affected by EDTA binding with cations? By varying the ionic strengths, different brine conditions can be simulated similar to those in and around the Culebra member and evaluate trends of dissolved Ca and Mg in the aqueous phase from the quantified data. Conclusions: <2% of dolomite dissolved over one week at pH 8.5. Greater dissolution occurred at higher ionic strength and in the presence of NaCl with approximately 0.4 vs. 0.9% of Mg removed from dolomite in 0.1 and 1.0 M Na. Further, 0.3 vs. 0.9% of Mg was removed from dolomite in 1.0 M IS CaCl{sub 2} versus NaCl. EDTA increased dissolution of dolomite at low ionic strength due to its strong complexation affinity for Ca/Mg with slightly greater removal of Ca than Mg. Significant differences were not observed at high ionic strength due to the presence of large concentrations of competing cations (Na, Ca, Mg). Slightly higher concentrations of Ca were removed from dolomite than Mg after one week, suggesting either incongruent dissolution or release through ion exchange of Ca from trace mineral impurities. Further, when EDTA was present, it may have increased Ca removal due to its greater complexation for Ca than Mg. Environmental Implications: High ionic strength brines and low ionic strength solutions with organic ligands increase dissolution of dolomite. Due to the long half-lives of radionuclides in the TRU waste, it may be important to consider the long term impact of dolomite dissolution for potential release scenarios.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Unsupervised learning from three-component accelerometer data to monitor the spatiotemporal evolution of meso-scale hydraulic fractures
Enhanced geothermal systems can provide a substantial share of the global energy demand. There exist several hurdles in the engineering implementations of such geothermal systems. One such hurdle is the accurate monitoring of the fracture networks created in subsurface through hydraulic stimulation of these systems. Micro seismicity associated with the stimulation is the primary means to locate the event hypocenters for estimating the stimulated rock volume. Existing methods for location the hypocenters are restricted to only the highest amplitude impulsive signals that are simultaneously detected on several sensors. Consequently, a large portion (usually ~99%) of the measurements are left unused. In this paper, an unsupervised manifold-approximation followed by clustering of 3-component accelerometer data is used to analyze the seismicity recorded on a monitoring well. With this method, a larger portion of the measured signal is used for the monitoring of the hydraulic fracture network. We analyze the EGS Collab experiment 1 microseismic data, recorded at the Sanford Underground Research Facility, South Dakota. Using the data from a single three-component accelerometer, the polarization features viz. Azimuth, incidence, rectilinearity, and planarity are used as inputs for the unsupervised manifold approximation followed by clustering. Our study shows that density-based clusters in the projected 3D space correspond to distinct types of hydraulically fractured zones around the injection point. Finally, we show that the temporal evolution of these clusters can be used to track fracture creation and propagation.
58 GEOSCIENCES↗
Revealing the Hidden Third Dimension of Point Defects in Two-Dimensional MXenes
Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering rational defect engineering. Here, we overcome this limitation using an artificial intelligence-guided electron microscopy workflow to map the 3D topology and clustering of atomic vacancies in Ti3C2TX MXene. Our approach reconstructs the 3D coordinates of vacancies across hundreds of thousands of lattice sites, generating robust statistical insight into their distribution that can be correlated with specific synthesis pathways. This large-scale data enables us to classify a hierarchy of defect structures-from isolated vacancies to nanopores-revealing their preferred formation and interaction mechanisms, as corroborated by molecular dynamics simulations. This work provides a generalizable framework for understanding and ultimately controlling point defects across large volumes, paving the way for the rational design of defect-engineered functional 2D materials.
2D materials↗
Mechanistic and Kinetic Analysis of Complete Methane Oxidation on a Practical PtPd/Al 2 O 3 Catalyst
A PtPd/Al 2 O 3 catalyst developed for the complete oxidation of methane from the ventilation air of underground coal mines is compared against a model PdO/Al 2 O 3 catalyst. Although the PtPd/Al 2 O 3 catalyst is substantially more active and stable than the model catalyst, the nature of active sites between the two catalysts is deemed to be fundamentally the same based on their response to different feed gas compositions and the evolution of surface CO adsorption complexes during time-resolved CO adsorption DRIFTS experiment. For both catalysts, coordinatively unsaturated Pd sites are considered the active centers for methane activation and the subsequent oxidation reaction. H 2 O competes with CH 4 for the same active sites, resulting in severe inhibition. Additionally, the CH 4 oxidation reaction also causes self-inhibition. Taking both inhibition effects into consideration, a relatively simple kinetic model is developed. The model provides a good fit of the 72 sets of kinetic data collected on the PtPd/Al 2 O 3 catalyst under practically relevant reaction conditions with CH 4 concentration in the range of 0.05–0.4%, H 2 O concentration of 1.0–5.0%, and reaction temperatures of 450–700 °C. Kinetic parameters based on the model suggest that the CH 4 activation energy on the PtPd/Al 2 O 3 catalyst is 96.7 kJ/mol, and the H 2 O adsorption energy is –31.0 kJ/mol. Both values are consistent with the parameters reported in the literature. The model can be used to develop catalyst sizing guidelines and be incorporated into the control algorithm of the catalytic system.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗