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DOE OSTI2026

Optimal Operation of Residential High Performance Water Heater for Reduction of Electricity Cost and Peak Demand Through Field Validation

Water heating accounts for about 18% of a typical US home’s energy use. Modern water heaters have enabled control options through APIs, offering customers the opportunity to reduce their energy cost and peak demand by dynamically adjusting settings. A water heater’s capacity to store energy using its storage tank makes it an asset for peak demand reduction and energy cost savings. For this reason, a mixed-integer linear programming model is proposed to minimize the energy cost of a high-performance water heater while also reducing the peak demand of the residential household under a time-of-use utility rate by dynamically changing the water heater’s running mode. Specifically, a multi-objective optimization model is formulated to determine the mode settings of the water heater considering hot water use, time-of-use rate, and peak demand limit of the residential household. The mode settings are associated with different dead bands of water temperature for triggering on/off action of the heat pump and heating element. A 66-gal hybrid electric high performance water heater was used for numerical simulation and practical experiments. The simulation results were well aligned with measurements of practical experiments, validating the soundness of the thermodynamic model. In addition, reductions of energy cost, enabling affordability, and reducing peak demand are demonstrated. The research team also developed a software framework with dashboards to automatically and continuously monitor and manage devices.

Liu, Guodong [ORNL] (ORCID:0000000213498608)↗

NASA NTRS2003

Analysis of Atmospheric Mesoscale Models for Entry, Descent and Landing

Each Mars Exploration Rover (MER) is sensitive to the martian winds encountered near the surface during the Entry, Descent and Landing (EDL) process. These winds are strongly influenced by local (mesoscale) conditions. In the absence of suitable wind observations, wind fields predicted by martian mesoscale atmospheric models have been analyzed to guide landing site selection. Two different models were used, the MRAMS model and the Mars MM5 model. In order to encompass both models and render their results useful to the EDL engineering team, a series of statistical techniques were applied to the model results. These analyses cover the high priority landing sites during the expected landing times (1200 to 1500 local time). The number of sites studied is limited by the computational and analysis cost of the mesoscale models.

D M Kass↗

DOE OSTI2020

LOGOS

LOGOS is a software package which contains a set of discrete optimization models that can be employed for capital budgeting optimization problems. More specifically, provided a set of items (characterized by cost and reward values) and constraints, these models select the best combination of items which maximizes overall reward and satisfies the provided constraints. The developed models are based on different versions of the knapsack optimization algorithms. Two main classes of optimization models have been initially developed: deterministic and stochastic. Stochastic optimization models evolve deterministic models by explicitly considering data uncertainties (associated to constraints or item cost and reward). These models can be employed as stand-alone models or interfaced with the INL developed RAVEN code to propagate data uncertainties and analyze the generated data (i.e., sensitivity analysis).

Wang, Congjian↗

DOE OSTI2024

Potential reductions in fine particulate matter and premature mortality following implementation of air pollution controls on coal-fired power plants in India

Coal-fired power plants (CFPPs) account for > 70% of electricity generation in India, but < 5% of facilities have installed technologies for sulfur dioxide (SO 2 ) and nitrogen oxide (NO X ) removal. Emissions of these pollutants lead to the formation of fine particulate matter (PM 2.5 ) and an increased risk of premature mortality for exposed populations. Here, we use a nested version of the GEOS-Chem global chemical transport model (0.5° × 0.625° resolution) for India to estimate reductions in PM 2.5 concentrations that could have been achieved by implementing existing emission control technologies like flue-gas desulfurization (FGD) and/or selective catalytic reduction (SCR). We quantify the associated burden of disease using the integrated exposure response (IER) and global exposure mortality model (GEMM) functions and compare the costs of premature mortality to those for FGD installation. Model simulations for 2010 suggest installation of FGD would have reduced mean annual PM 2.5 concentrations across India by 8%, compared to 3% with SCR installation, and 11% with both FGD and SCR. A 7–28% reduction in PM 2.5 was simulated for local communities closest to CFPPs (same model grid cell), leading to up to 17% reduction in annual premature mortality. Overall, more than 0.21–0.48 million premature deaths would have been avoided over a 10-year period if FGD had been implemented on all CFPPs, compared to 0.09–0.21 million with SCR and 0.22–0.72 million with both FGD and SCR. Benefits associated with such actions are approximately $\$18.1$–$\$604$ billion USD per year, which is equivalent to ~ 0.44 to 10% of India’s GDP. These results suggest that monetary benefits from avoided premature mortality far outweigh the capital and operational costs of FGD and/or SCR installation of $\$19.5$ billion and/or $\$32.8$ billion per year, respectively. This information is essential because the high costs of installation and operation are often given as reasons for delaying installation and commissioning. Finally, we conclude that policy actions to control air pollution from CFPPs are economically justifiable.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

DOE OSTI2025

Thermal and electric multidomain dynamic model for integration of power grid distribution with behind-the-meter devices

As renewable energy sources like solar and wind power become more integrated into the grid, coordinated control of behind-the-meter devices is crucial for enhancing grid flexibility and reliability and for meeting cost targets, with standardized models being developed to support this transition. The increasing flexibility and uncertainty of integrated renewable energy grids, along with interactions between various subsystems, make traditional steady-state modeling insufficient to capture transient and dynamic behaviors. Current models (e.g., composite load and battery equivalent models) focus on thermodynamic or electrical characteristics but overlook critical electromechanical interactions. This limits the ability to share performance information for grid services and hampers fast dynamic simulations. In addition, motor stalling is usually triggered by a fault event and attributed to the characteristics of the mechanical torque of the motor, resulting in absorption of a large amount of reactive power during the stalling period. Further, this significant withdrawal of reactive power will deteriorate the dynamic voltage stability of power grids and cause delayed voltage recovery. Therefore, an in-depth modeling of the thermodynamics or mechanical torque is essential to study the impacts of the realistic torque characteristics of those behind-the-meter devices on power system voltage stability. This study developed a dynamic multidomain model for building HVAC systems, such as air-source heat pumps, to simulate their thermal and electrical responses to grid transients. The model can accurately predict power metrics with a mean absolute percentage error of 10%, by validating against with power system computer-aided design performance data. Case studies demonstrate the model capability of capturing the transient response to sudden voltage changes, rapid load fluctuations, and system shutdowns respectively. During a sudden voltage drop (30% for 0.1s), a fully loaded heat pump’s motor speed dropped, continued declining, and shut down after 3.6s, with severe power oscillations and a torque spike. A partially loaded unit experienced temporary oscillations but stabilized. Under higher building loads, compressor speed increased from 64% to 100%, with power and torque rising before stabilizing. In safety-triggered shutdowns, power decreased after minor fluctuations, and torque briefly spiked before dropping to zero.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1976

Planetary missions in the Shuttle era

A conservative fifteen-year plan for planetary exploration is presented in which the Space Shuttle is considered as just a basic transportation system that should be quite economical and have excellent reliability. It is noted that these planned missions are limited by the out-of-orbit escape capability of the Shuttle's Interim Upper Stage (IUS), rather than by the orbital payload capability of the Shuttle itself. A mission model is provided in which a rather even balance is maintained among missions to the inner planets, the outer planets, the comets and asteroids, and interplanetary missions out of the ecliptic plane; the cost estimate for this model is plotted. Launch requirements for the various missions are compared with the performance available from various IUS candidates under evaluation, and it is shown that even the lower-performance candidates can be brought up to the capability of the current Titan IIIE/Centaur/TE-364 expendable launch vehicle, which is adequate for most of the missions in the program. Missions which require higher-performance IUS options are noted, including the Mariner Jupiter and Saturn Orbiters.

Kraemer, R. S.↗

DOE OSTI2024

Quantifying Investment Risk: Analysis of the Purchase Decision of a Nuclear Power Plant (Presentation)

Cost overruns are an ill-fated part of the deployment history of nuclear power plants (NPPs) in the United States, and yet studies increasingly show the important role nuclear technologies must play in decarbonizing the U.S. economy. Paradoxically, then, a key piece of a coherent decarbonization strategy depends on attracting investor action to a purchase where historical cost overruns have been sizable. To address this challenge, this study aims to develop a financial model that quantifies the risk of cost overruns in the decision-making process for purchasing advanced reactor concepts. Using the concept of value at risk (VaR), the model is built to evaluate financial risk nuclear construction with the aim to identify risk mitigation strategies. The objective is to identify strategies to mitigate cost-risk challenges and assess the potential reduction in investor risk exposure. This paper presents the initial development and preliminary verification of the financial risk analysis model. The development of this model involved a comprehensive approach to estimating financial risk over the operating life of NPP that stems from construction uncertainties. By utilizing net present value (NPV) with discounted cash flows, the model captures the complex interconnections of project costs, construction timelines, revenue, and uncertainties. Verifying the model involved testing historical data from previous reactor construction projects against the construction project of Vogtle 3 and 4. This paper’s results present the comparison of the preconstruction cost overrun prediction with the current cost estimates from a nearly complete Vogtle 3 and 4.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

An adaptive, data-driven multiscale approach for dense granular flows

The accuracy of coarse-grained continuum models of dense granular flows is limited by the lack of high-fidelity closure models for granular rheology. One approach to addressing this issue, referred to as the hierarchical multiscale method, is to use a high-fidelity fine-grained model to compute the closure terms needed by the coarse-grained model. The difficulty with this approach is that the overall model can become computationally intractable due to the high computational cost of the high-fidelity model. In this work, we describe a multiscale modeling approach for dense granular flows that utilizes neural networks trained using high-fidelity discrete element method (DEM) simulations to approximate the constitutive granular rheology for a continuum incompressible flow model. Our approach leverages an ensemble of neural networks to estimate predictive uncertainty that allows us to determine whether the rheology at a given point is accurately represented by the neural network model. Additional DEM simulations are only performed when needed, minimizing the number of additional DEM simulations required when updating the rheology. This adaptive coupling significantly reduces the overall computational cost of the approach while controlling the error. In addition, the neural networks are customized to learn regularized rheological behavior to ensure well-posedness of the continuum solution. We first validate the approach using two-dimensional steady-state and decelerating inclined flows. We then demonstrate the efficiency of our approach by modeling three-dimensional sub-aerial granular column collapse for varying initial column aspect ratios, where our multiscale method compares well with the computationally expensive computational fluid dynamics (CFD)-DEM simulation.

Dense granular flows↗

NASA NTRS1980

Low-cost production of solar-cell panels

Large-scale production model combines most modern manufacturing techniques to produce silicon-solar-cell panels of low costs by 1982. Model proposes facility capable of operating around the clock with annual production capacity of 20 W of solar cell panels.

Bickler, D. B.↗

DOE OSTI2024

Wind Turbine Maintenance Costs: Assessing the Potential of Gear Oil Improvements

Wind turbine operations & maintenance (O&M) costs constitute a sizable portion of total energy cost for wind power. There are many components in a utility-scale wind turbine that need to be lubricated with either oil or grease. This study uses gearbox oil as an example and assesses how lubricant technology improvements may impact wind turbine power production and levelized cost of energy. Using the modeling tools (i.e., WOMBAT, reV, and SAM) developed at National Renewable Energy Laboratory and lubrication oil technology scenarios defined based on inputs provided by ExxonMobil and industry stakeholders, we quantify the potential for increasing energy production and reducing maintenance costs across the current and future U.S. fleet of wind turbines as a result of improvements in lubrication technologies. The modeled improvements reduce the median levelized cost of energy by 1-2% across the U.S. fleet. Cumulative saving from gear oil technology improvements in 2050 for U.S. fleet is estimated to be approximately $6 billion. Extending the lubricant replacement interval has a larger impact on total cost and energy production than reducing lubricant cost.

costs↗

DOE OSTI2020

Integrated Dynamic Facade Control with an Agent-based Architecture for Commercial Buildings

Dynamic façades have significant technical potential to minimize heating, cooling, and lighting energy use and peak electric demand in the perimeter zone of commercial buildings, but the performance of these systems is reliant on being able to balance complex trade-offs between solar control, daylight admission, comfort, and view over the life of the installation. As the context for controllable energy-efficiency technologies grows more complex with the increased use of intermittent renewable energy resources on the grid, it has become increasingly important to look ahead towards more advanced approaches to integrated systems control in order to achieve optimum life-cycle performance at a lower cost. This study examines the feasibility of a model predictive control system for low-cost autonomous dynamic façades. A system architecture designed around lightweight, simple agents is proposed. The architecture accommodates whole building and grid level demands through its modular, hierarchical approach. Automatically-generated models for computing window heat gains, daylight illuminance, and discomfort glare are described. The open source Modelica and JModelica software tools were used to determine the optimum state of control given inputs of window heat gains and lighting loads for a 24-hour optimization horizon. Penalty functions for glare and view/ daylight quality were implemented as constraints. The control system was tested on a low-power controller (1.4 GHz single core with 2 GB of RAM) to evaluate feasibility. The target platform is a low-cost ($35/unit) embedded controller with 1.2 GHz dual-core cpu and 1 GB of RAM. Configuration and commissioning of the curtainwall unit was designed to be largely plug and play with minimal inputs required by the manufacturer through a web-based user interface. An example application was used to demonstrate optimal control of a three-zone electrochromic window for a south-facing zone. The overall approach was deemed to be promising. Further engineering is required to enable scalable, turnkey solutions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Decarbonization and technology cost drivers: considerations for potential future thermoelectric water use in the power sector

The power sector is currently undergoing significant changes, driven by a combination of factors, including decarbonization and technology innovation. This study aims to assess implications of these drivers on U.S. power sector technology futures and the associated water and environmental implications for cooling thermoelectric power plants. Specifically, we evaluate four decarbonization scenarios for the contiguous United States that vary in assumptions concerning demand growth and technology costs, with technology costs driving alternative outcomes that prioritize either technologies that require low amounts of water (such as wind, solar, and battery) or high amounts of water (such as nuclear and carbon capture and storage). These scenarios are executed in a power sector capacity expansion model and compared to two reference scenarios that assume status quo with policy and cost drivers. Our analysis indicates that future U.S. thermoelectric water withdrawals could decrease by 25%–60%, but water consumption could more than triple in some scenarios. These changes are driven by a combination of retirement of some power facilities, shifts in cooling technologies, and new technology deployment. The water use patterns vary across the United States, with the eastern regions demonstrating a lot more variability in water consumption across scenarios than western regions. However, local concerns can influence these possible investments, since increased water consumption can exacerbate water scarcity, leading to conflicts among competing users and affecting regional social, environmental, and economic dynamics. Future work should consider possible costs associated with alternate water sources, as well as improve the representation of water constraints within simulations. Inclusion of extreme events and alternate modeling platforms (e.g. production cost modeling and resource adequacy) may also be warranted to further stress test the robustness of these possible technology futures. Such assessments will be critical for ensuring decarbonization and other infrastructure-oriented investments lead to a reliable and resilient power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2004

Turnaround Time Modeling for Conceptual Rocket Engines

Recent years have brought about a paradigm shift within NASA and the Space Launch Community regarding the performance of conceptual design. Reliability, maintainability, supportability, and operability are no longer effects of design; they have moved to the forefront and are affecting design. A primary focus of this shift has been a planned decrease in vehicle turnaround time. Potentials for instituting this decrease include attacking the issues of removing, refurbishing, and replacing the engines after each flight. less, it is important to understand the operational affects of an engine on turnaround time, ground support personnel and equipment. One tool for visualizing this relationship involves the creation of a Discrete Event Simulation (DES). A DES model can be used to run a series of trade studies to determine if the engine is meeting its requirements, and, if not, what can be altered to bring it into compliance. Using DES, it is possible to look at the ways in which labor requirements, parallel maintenance versus serial maintenance, and maintenance scheduling affect the overall turnaround time. A detailed DES model of the Space Shuttle Main Engines (SSME) has been developed. Trades may be performed using the SSME Processing Model to see where maintenance bottlenecks occur, what the benefits (if any) are of increasing the numbers of personnel, or the number and location of facilities, in addition to trades previously mentioned, all with the goal of optimizing the operational turnaround time and minimizing operational cost. The SSME Processing Model was developed in such a way that it can easily be used as a foundation for developing DES models of other operational or developmental reusable engines. Performing a DES on a developmental engine during the conceptual phase makes it easier to affect the design and make changes to bring about a decrease in turnaround time and costs.

Nix, Michael↗

DOE OSTI2025

Systems Analysis of Biomass and Coal Co-firing Power Plants with Deep Carbon Capture Toward Net-zero Emissions

Achieving a net-zero emission economy in the United States requires integrating diverse low-carbon and negative-emission technologies into the existing fossil fuel-dominant power fleet. Potential technologies from the low-carbon portfolio include renewable power, fossil power with carbon capture and storage (CCS), bioenergy with CCS (BECCS), and direct air capture (DAC). Renewable power is a clean energy source but has to pair with costly battery storage to provide dispatchable electricity. Fossil power with CCS offers dispatchable electricity yet still relies on DAC to offset residual emissions, even when deploying deep CCS with more than 90% CO2 capture. Coal-biomass co-firing with CCS, a subset of BECCS, is a reliable energy production technology that can be retrofitted from existing electricity generation units (EGUs). Power plant retrofit maximizes the use of the current U.S. coal power fleet without the need for large-scale deployment of new renewable power, battery storage, or DAC. Retrofitting coal-biomass co-firing with deep CCS in EGUs is a promising option, but not a universal solution. Biomass co-firing at a power plant introduces economic challenges and indirectly poses pressure on land and water resources. Meanwhile, retrofitting deep CCS affects plant efficiency and raises electricity generation costs. Overall, the technical feasibility and economic viability of plant retrofits vary across EGUs, as they are contingent upon the regional availability of biomass, unit-specific characteristics, site-specific fuel supply costs, and adjacent CO2 storage potential. Government incentives like 45Q can improve the retrofit viability, though the impact requires further quantification. A comprehensive analysis at the unit level is essential to address the question regarding the fate of the U.S. coal-fired electricity generation fleet toward the net-zero emission goal. This study conducts a systematic techno-economic-environmental assessment of EGUs to identify the viability of biomass co-firing and deep CCS retrofits in the U.S. coal-fired power fleet. Specifically, it characterizes the techno-economic performance of deep carbon capture, estimates life cycle greenhouse gas (GHG) emissions, and conducts a fleet-level assessment on retrofit viability. The key objectives are (1) to estimate the unit-specific performance and retrofitted cost under various biomass co-firing levels and CO2 capture rates; (2) to determine the possibility of reaching net-zero emission at the fleet level; (3) to quantify the cumulative capacities that are suitable for plant retrofits under current and future biomass supply scenarios; and (4) to improve the understanding of policy impacts on such retrofits to help the power sector’s transition to a net-zero economy. Techno-economic Model of Deep Carbon Capture. This study develops the performance and economic models for Monoethanolamine-based post-combustion CO2 capture at 95–99% capture rates. The process is simulated in Aspen Plus, analyzing the performance of carbon capture technology by varying the plant sizes, solvent lean loading, CO2 concentrations, and flue gas inlet temperature. Based on the key inputs and output parameters of CO2 capture, a reduced-order performance model of deep carbon capture is formulated. In addition, an engineering-economic model integrating the performance metrics is developed to estimate the capital as well as operation and maintenance (O&M) costs. Capital cost estimations follow the framework of the Integrated Environmental Control Model (IECM) and incorporate data regressions from three technical reports by IECM, the National Energy Technology Laboratory (NETL), and the National Renewable Energy Laboratory. The O&M cost estimation utilizes the actual inventory consumption rate and labor requirements. Both performance and cost models are embedded into IECM v13.0-beta, a fossil-fuel power plant modeling tool. Life Cycle Assessment of Power Plants. This study estimates the GHG emissions of power plants through life cycle assessment (LCA). The LCA scope includes fuel supply, combustion-based power generation, and CO2 transport and storage. The fuel-based life cycle module is designed following the framework of the NETL Unit Process Library and CO2U LCA Guidance Toolkit. The module is then incorporated into IECM v13.0-beta. The process-based LCA is applied to estimate the GHG emissions of coal and biomass supply, coal- and coal-biomass co-firing power plant operation, as well as CO2 pipeline transport and geographical sequestration. An uncertainty analysis is conducted to quantify the variability and uncertainty associated with the LCA using the Latin Hypercube Sampling (LHS) method. Fleet-level Assessment. This study evaluates the technical and economic feasibility of selected coal-fired EGUs, examines the role of tax credits in retrofit viability, and assesses the competitiveness of retrofitted units against other low-carbon options. Unit screening identifies EGUs for the study, focusing on new, efficient baseload units with air pollution controls. The power plant databases are then established to organize unit-specific information on performance and operating conditions from the relevant public databases. Biomass for co-firing retrofits is selected based on home and neighboring county availability, ensuring sustained operation with at least a 5% co-firing level. The CO2 storage site is determined by state-level storage potential, with ArcGIS Pro and NETL CO2 Saline Storage Cost Model used to identify the optimal balance between the nearest transport distances and affordable storage costs. The latest IECM v13.0-beta is then employed to configure and evaluate the eligible EGUs with or without the deployment of deep CCS and biomass co-firing. A supply curve is established to illustrate the cumulative installed capacity suitable for retrofits at different cost levels. A sensitivity analysis on tax credits for carbon sequestration is performed. Finally, a unit-level cost comparison is conducted among retrofitted plants, renewable power with battery storage, and abated fossil fuels with DAC. Expected Results. This study evaluates the technical, economic, and environmental metrics of each EGU across an array of CO2 capture rates and biomass co-firing level scenarios. Unit-level comparisons will identify critical factors influencing technical performance. The supply curves with and without tax incentives will provide insights into the impact of tax credits on biomass co-firing and CCS deployment. The cost comparisons with renewables and DAC-retrofit will assess the competitiveness of the retrofitted units. Life cycle emissions from each unit will be assessed to identify the scenarios under which net-zero emissions can be achieved. These analyses are expected to determine the total coal-fired capacity suitable for serving as a low-carbon energy source with or without tax incentives. The study results are novel in identifying optimal unit-specific strategies for producing carbon-neutral power, whether through retrofitting EGUs with deep CCS, biomass co-firing, DAC, or installing renewable power with battery. The findings will provide insight into nationwide efforts to ensure reliable, affordable, and low-carbon electricity. It also will inform investment decisions and policies in the deployment of deep carbon capture and negative emission technologies for a net-zero energy future.

Biomass Co-firing↗

NASA NTRS2001

A Geosynchronous Lidar System for Atmospheric Winds and Moisture Measurements

An observing system comprised of two lidars in geosychronous orbit would enable the synoptic and meso-scale measurement of atmospheric winds and moisture both of which are key first-order variables of the Earth's weather equation. Simultaneous measurement of these parameters at fast revisit rates promises large advancements in our weather prediction skills. Such capabilities would be unprecedented and a) yield greatly improved and finer resolution initial conditions for models, b) make existing costly and cumbersome measurement approaches obsolete, and c) obviate the use of numerical techniques needed to correct data obtained using present observing systems. Additionally, simultaneous synoptic wind and moisture observations would lead to improvements in model parameterizations, and in our knowledge of small-scale weather processes. Technology and science data product assessments are ongoing. Results will be presented during the conference.

Emmitt, G. D.↗

DOE OSTI2022

Application-Driven Creation of Building Metadata Models with Semantic Sufficiency

Semantic metadata models such as Brick, RealEstateCore, Project Haystack, and BOT promise to simplify and lower the cost of developing software for smart buildings, enabling the widespread deployment of energy efficiency applications. However, creating these models remains a challenge. Despite recent advances in creating models from existing digital representations like point labels and architectural models, there is still no feedback mechanism to ensure that the human input to these methods results in a model that can actually support the desired software. In this paper, we introduce the notion of semantic sufficiency, a practical principle for semantic metadata model creation that asserts that a model is "finished" when it contains the metadata necessary to support a given set of applications. To support semantic sufficiency, we design a standard representation for capturing application metadata requirements and a templating system for generating common metadata model components with limited user input. We then construct an iterative model creation workflow that integrates metadata requirements to direct the model creation effort, and present several novel optimizations that increase the model utility while minimizing the effort by a human operator. These new abstractions for model creation and validation lower model development costs and ensure the utility of the resulting model, thus facilitating the adoption of intelligent building applications.

applications↗

DOE OSTI2021

Atomic Layer Deposition for Improved Biomass Conversion Catalysts

Heterogeneous catalysts are a key enabler of the transition towards a sustainable, bio-based economy for fuels and chemicals. However, the harsh conditions in many biomass conversion processes lead to nanoparticle sintering, support collapse, and metal leaching in conventional PGM catalysts. Next-generation catalysts must be developed to address these stability challenges. This presentation will discuss ongoing work between the Catalytic Carbon Transformation and Scale-Up Center at NREL and various industrial partners to develop scalable and cost-effective atomic layer deposition (ALD) coatings for improving the performance of biomass conversion catalysts. The substantial focus will be devoted to the benefits of TiO2 ALD coatings on supported Pd hydrogenation catalysts. Ten cycles of TiO2 ALD were found to dramatically improve the activity of a conventional Pd/Al2O3 catalyst towards aromatic hydrogenation, despite partial coverage of the Pd sites by the ALD layer. Subsequent advanced characterization and atomic-scale computational modeling revealed that the ALD coating weakened the adsorption strength of hydrogenation surface intermediates, leading to higher reaction rates. Reaction testing after exposure to sulfur impurities, high temperature oxidation, and hydrothermal treatment demonstrated the improved stability of the ALD-coated catalyst. Additionally, the ALD synthesis process was found to be scalable over two orders of magnitude with minimal deviation in synthesized catalyst properties. These results were contextualized with cost models of industrial ALD coating and aromatic hydrogenation processes to further refine the value proposition of ALD coatings. Given the demonstrated improvements in hydrogenation, TiO2 ALD coatings have also been applied to supported Pt catalysts for use in other biomass conversion reactions, such as hydrodeoxygenation for the production of sustainable aviation fuel (SAF) and the oxidation of glucose to bio-derived gluconic acid.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Atomic Layer Deposition for Improved Biomass Conversion Catalysts

atomic layer deposition↗