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DOE OSTI2018

Characterization of Cotton Ball-like Au/ZnO Photocatalyst Synthesized in a Micro-Reactor

Noble metal/metal oxide nanostructures are an efficient system in photocatalysis. Continuous and scalable production of advanced particle systems will be a requirement for commercial-scale deployment for many applications, including photocatalysis. In this work, Au/ZnO structures were synthesized in a continuous flow micro-reactor at room temperature and the detailed characteristics of the product indicate a specific cotton ball-like core-shell microstructure that showcases specific advantages compared to traditional batch synthesis methods. The formation pathway of the core-shell Au/ZnO structures is discussed with the pH-dependent speciation diagram, and photocatalytic activity was assessed under simulated sunlight, demonstrating the enhanced performance of the cotton ball-like Au/ZnO microstructures in photocatalytic dye degradation. This work describes the application of microreaction technology in the continuous production of metal/metal oxide photocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Dual aging pathways of Cu-SSZ-13 SCR catalysts: Hydrothermal vs. sulfur-induced deactivation

Hydrothermal aging (HTA) and chemical poisoning are two primary factors contributing to the real-world degradation of Cu-SSZ-13 SCR catalysts. Investigating field-returned samples offers valuable insights into performance degradation caused by these mechanisms. However, the simultaneous presence of both deactivation pathways complicates the isolation of their individual effects in post-mortem analyses. In this study, we separately prepared model Cu-SSZ-13 SCR catalysts subjected to hydrothermal-aging and sulfur-induced chemical poisoning. Using various characterization techniques, we elucidated the specific role of each aging process in catalyst deactivation and compared the results to real-world field-aged catalysts. Our findings show that hydrothermal aging at 650 °C for 100 h caused dealumination of the zeolite framework but no significant CuO x cluster formation. In contrast, sulfur aging (via sulfur exposure, calcination at 550 °C, and desulfation up to 750 °C) led to CuO x formation without any observable dealumination. On model catalysts, sulfur poisoning was found to reduce Cu mobility and the amount of active Cu sites, thus degrading catalyst activity. Although some activity was recovered upon desulfation, a portion of the initial catalyst activity remained irreversibly lost due to CuO x formation. We demonstrate that this occurs because sulfated species impede the ability of multi-nuclear Cu species (e.g., Cu dimers) to split back into their isolated form, leading to CuSO 4 -clusters that oxidatively desulfate to CuO x species. This degradation pathway explains the significant reduction in activity of field-aged samples, where substantial CuSO 4 -cluster accumulation leads to reduced active Cu and subsequent conversion to CuO x . Furthermore, the conclusions from model catalysts were extended directly to field-aged commercial samples, elucidating the decline in activity and chemical properties during field deployment.

Catalyst Deactivation↗

DOE OSTI2021

A systems engineering framework for the optimization of food supply chains under circular economy considerations

The current linear “take-make-waste-extractive” model leads to the depletion of natural resources and environmental degradation. Circular Economy (CE) aims to address these impacts by building supply chains that are restorative, regenerative, and environmentally benign. This can be achieved through the re-utilization of products and materials, the extensive usage of renewable energy sources, and ultimately by closing any open material loops. Such a transition towards environmental, economic and social advancements requires analytical tools for quantitative evaluation of the alternative pathways. Here, in this work, we present a novel CE system engineering framework and decision-making tool for the modeling and optimization of food supply chains. First, the alternative pathways for the production of the desired product and the valorization of wastes and by-products are identified. Then, a Resource-Task-Network representation that captures all these pathways is utilized, based on which a mixed-integer linear programming model is developed. This approach allows the holistic modeling and optimization of the entire food supply chain, taking into account any of its special characteristics, potential constraints as well as different objectives. Considering that typically CE introduces multiple, often conflicting objectives, we deploy here a multi-objective optimization strategy for trade-off analysis. A representative case study for the supply chain of coffee is discussed, illustrating the steps and the applicability of the framework. Single and multi-objective optimization formulations under five different coffee-product demand scenarios are presented. The production of instant coffee as the only final product is shown to be the least energy and environmental efficient scenario. On the contrary, the production solely of whole beans sets a hypothetical upper bound on the optimal energy and environmental utilization. In both problems presented, the amount of energy generated is significant due to the utilization of waste generated for the production of excess energy.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2012

Renewable Electricity Futures Study. Volume 1: Exploration of High-Penetration Renewable Electricity Futures

The Renewable Electricity Futures (RE Futures) Study investigated the challenges and impacts of achieving very high renewable electricity generation levels in the contiguous United States by 2050. The analysis focused on the sufficiency of the geographically diverse U.S. renewable resources to meet electricity demand over future decades, the hourly operational characteristics of the U.S. grid with high levels of variable wind and solar generation, and the potential implications of deploying high levels of renewables in the future. RE Futures focused on technical aspects of high penetration of renewable electricity; it did not focus on how to achieve such a future through policy or other measures. Given the inherent uncertainties involved with analyzing alternative long-term energy futures as well as the multiple pathways that might be taken to achieve higher levels of renewable electricity supply, RE Futures explored a range of scenarios to investigate and compare the impacts of renewable electricity penetration levels (30%-90%), future technology performance improvements, potential constraints to renewable electricity development, and future electricity demand growth assumptions. RE Futures was led by the National Renewable Energy Laboratory (NREL) and the Massachusetts Institute of Technology (MIT).

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2012

Renewable Electricity Futures Study (Executive Summary)

14 SOLAR ENERGY↗

DOE OSTI2012

Renewable Electricity Futures Study - Volume 1: Exploration of High-Penetration Renewable Electricity Futures

The Renewable Electricity Futures (RE Futures) Study investigated the challenges and impacts of achieving very high renewable electricity generation levels in the contiguous United States by 2050. The analysis focused on the sufficiency of the geographically diverse U.S. renewable resources to meet electricity demand over future decades, the hourly operational characteristics of the U.S. grid with high levels of variable wind and solar generation, and the potential implications of deploying high levels of renewables in the future. RE Futures focused on technical aspects of high penetration of renewable electricity; it did not focus on how to achieve such a future through policy or other measures. Given the inherent uncertainties involved with analyzing alternative long-term energy futures as well as the multiple pathways that might be taken to achieve higher levels of renewable electricity supply, RE Futures explored a range of scenarios to investigate and compare the impacts of renewable electricity penetration levels (30%–90%), future technology performance improvements, potential constraints to renewable electricity development, and future electricity demand growth assumptions. RE Futures was led by the National Renewable Energy Laboratory (NREL) and the Massachusetts Institute of Technology (MIT). Learn more at the RE Futures website. http://www.nrel.gov/analysis/re_futures/

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2012

Renewable Electricity Futures Study - Volume 2: Renewable Electricity Generation and Storage Technologies

The Renewable Electricity Futures (RE Futures) Study investigated the challenges and impacts of achieving very high renewable electricity generation levels in the contiguous United States by 2050. The analysis focused on the sufficiency of the geographically diverse U.S. renewable resources to meet electricity demand over future decades, the hourly operational characteristics of the U.S. grid with high levels of variable wind and solar generation, and the potential implications of deploying high levels of renewables in the future. RE Futures focused on technical aspects of high penetration of renewable electricity; it did not focus on how to achieve such a future through policy or other measures. Given the inherent uncertainties involved with analyzing alternative long-term energy futures as well as the multiple pathways that might be taken to achieve higher levels of renewable electricity supply, RE Futures explored a range of scenarios to investigate and compare the impacts of renewable electricity penetration levels (30%–90%), future technology performance improvements, potential constraints to renewable electricity development, and future electricity demand growth assumptions. RE Futures was led by the National Renewable Energy Laboratory (NREL) and the Massachusetts Institute of Technology (MIT). Learn more at the RE Futures website. http://www.nrel.gov/analysis/re_futures/

25 ENERGY STORAGE↗

DOE OSTI2012

Renewable Electricity Futures Study - Volume 3: End-Use Electricity Demand

The Renewable Electricity Futures (RE Futures) Study investigated the challenges and impacts of achieving very high renewable electricity generation levels in the contiguous United States by 2050. The analysis focused on the sufficiency of the geographically diverse U.S. renewable resources to meet electricity demand over future decades, the hourly operational characteristics of the U.S. grid with high levels of variable wind and solar generation, and the potential implications of deploying high levels of renewables in the future. RE Futures focused on technical aspects of high penetration of renewable electricity; it did not focus on how to achieve such a future through policy or other measures. Given the inherent uncertainties involved with analyzing alternative long-term energy futures as well as the multiple pathways that might be taken to achieve higher levels of renewable electricity supply, RE Futures explored a range of scenarios to investigate and compare the impacts of renewable electricity penetration levels (30%–90%), future technology performance improvements, potential constraints to renewable electricity development, and future electricity demand growth assumptions. RE Futures was led by the National Renewable Energy Laboratory (NREL) and the Massachusetts Institute of Technology (MIT). Learn more at the RE Futures website. http://www.nrel.gov/analysis/re_futures/

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2012

Renewable Electricity Futures Study - Volume 4: Bulk Electric Power Systems. Operations and Transmission Planning

The Renewable Electricity Futures (RE Futures) Study investigated the challenges and impacts of achieving very high renewable electricity generation levels in the contiguous United States by 2050. The analysis focused on the sufficiency of the geographically diverse U.S. renewable resources to meet electricity demand over future decades, the hourly operational characteristics of the U.S. grid with high levels of variable wind and solar generation, and the potential implications of deploying high levels of renewables in the future. RE Futures focused on technical aspects of high penetration of renewable electricity; it did not focus on how to achieve such a future through policy or other measures. Given the inherent uncertainties involved with analyzing alternative long-term energy futures as well as the multiple pathways that might be taken to achieve higher levels of renewable electricity supply, RE Futures explored a range of scenarios to investigate and compare the impacts of renewable electricity penetration levels (30%–90%), future technology performance improvements, potential constraints to renewable electricity development, and future electricity demand growth assumptions. RE Futures was led by the National Renewable Energy Laboratory (NREL) and the Massachusetts Institute of Technology (MIT). Learn more at the RE Futures website. http://www.nrel.gov/analysis/re_futures/

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

U.S. electric power sector transitions required to achieve 80% reductions in economy-wide greenhouse gas emissions: Results based on a state-level model of the U.S. energy system

The United States has articulated a deep decarbonization strategy for achieving a reduction in economy-wide greenhouse gas (GHG) emissions of 80% below 2005 levels by 2050. Achieving such deep emissions reductions will entail a major transformation of the energy system and of the electric power sector in particular. , This study uses a detailed state-level model of the U.S. energy system embedded within a global integrated assessment model (GCAM-USA) to demonstrate pathways for the evolution of the U.S. electric power sector that achieve 80% economy-wide reductions in GHG emissions by 2050. The pathways presented in this report are based on feedback received during a workshop of experts organized by the U.S. Department of Energy’s Office of Energy Policy and Systems Analysis. Our analysis demonstrates that achieving deep decarbonization by 2050 will require substantial decarbonization of the electric power sector resulting in an increase in the deployment of zero-carbon and low-carbon technologies such as renewables and carbon capture utilization and storage. The present results also show that the degree to which the electric power sector will need to decarbonize and low-carbon technologies will need to deploy depends on the nature of technological advances in the energy sector, the ability of end-use sectors to electrify and level of electricity demand.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Maximizing Solar and Transportation Synergies

This report considers the technological and market pathways that will enable better use of photovoltaic (PV) electricity as fuel for future transportation demand. Most of the pathways identified will require collaborative research and development (R&D) efforts to improve the capabilities of multiple technologies, including PV, energy storage, vehicles, electrolyzers, electrofuels, and infrastructure. For plug-in electric vehicles (PEVs), technologies that enable wide-scale managed and coordinated charging are among the highest priorities for continued research, development, and deployment in the near term. Furthermore, managed and coordinated charging capabilities are foundational for future vehicle-to-grid (V2G) functionality in the long term. For hydrogen fuel cell electric vehicles (FCEVs), the use of PV electricity for electrolysis provides an opportunity to increase PV deployment. For rail, air, and maritime transportation, the feasibility of increased PV use varies in the near term; opportunities for synergies with solar include the electrification of rail, increased reliability from airport microgrids, and switching from heavy fuel oil to clean maritime electrofuels made from PV-based hydrogen. Over the longer term, battery swap stations for electric airplanes and the co-location of solar with hydrogen fueling stations at shipping ports may enable greater synergies between PV and transportation.

14 SOLAR ENERGY↗

DOE OSTI2022

Bioenergy Technologies Office: R&D State of Technology 2020

The U.S. Department of Energy’s Bioenergy Technologies Office (BETO) funds research and development (R&D) on technologies necessary for the deployment and production of cost competitive bioenergy, primarily biofuels. Results of experimental efforts are periodically compiled and compared with benchmark technology designs to assess overall progress. This report provides a status of those R&D efforts at the end of 2020. This report first describes the approach for assessing progress, followed by specific technology pathway configurations within which progress is charted. Each pathway configuration is described separately and the state of technology progress is presented for the combined pathway, as well as for pathway components. Detailed component descriptions reference technology barriers and challenges that are detailed in the appendix.

09 BIOMASS FUELS↗

DOE OSTI2023

Autonomous Inversion of In Situ Deformation Measurement Data for Injection-Induced Stress Change

Geologic carbon storage (GCS) is likely to play a key part of the global effort to dramatically reduce CO2 emissions and perhaps even reduce atmospheric CO2 concentrations through carbon negative operations. A critical part of effort to commercialize and widely deploy this technology is developing the capability to rapidly assimilate real-time monitoring data into a form that will enable site operators to make decisions to manage the safe and efficient operations. Two of the risks associate with GCS are the risk of inducing fractures in the sealing formations that can create leakage pathways and the risk of inducing earthquakes of sufficient magnitude to cause public concern, property damage, or safety risks. To properly manage these risks the site operator needs to know the initial state of stress, the change in stress induced by injection, and the relationship between operational parameters such as injection rate and pressure and the change in stress. Current methods of estimating the change in stress require choosing the type of constitutive model and the model parameters based on core, log, and geophysical data during the characterization phase, with little feedback from operational observations to validate or refine these choices. These characterization methods interrogate the geologic formations using length scales, loading rates or magnitudes that are quite different from those encountered by the actual storage system. It is shown that errors in the assumed constitutive response, even when informed by laboratory tests on core samples, are likely to be common, large, and underestimate the magnitude of stress change caused by injection. Recent advances in borehole-based strain instruments and borehole and surface-based tilt and displacement instruments have now enabled monitoring of the deformation of the storage system throughout its operational lifespan. This data can enable validation and refinement of the knowledge of the geomechanical properties and state of the system, but brings with it a challenge to transform the raw data into actionable knowledge. We demonstrate a method that uses automatic differentiation and a finite-element based geomechanical model perform a gradient-based deterministic inversion of geomechanical monitoring data. This approach allows autonomous integration of the instrument data without the need for time consuming manual interpretation and selection of updated model parameters. Furthermore, only isotropic linear elasticity is considered in this paper, the approach presented is very flexible as to what type of geomechanical constitutive response can be used. The approach is easily adaptable to nonlinear physics-based constitutive models to account for common rock behaviors such as creep and plasticity. The approach also enables training of machine learning-based constitutive models by allowing back propagation of errors through the finite element calculations. This enables strongly enforcing known physics, such as conservation of momentum and continuity, while allowing data-driven models to learn the truly unknown physics such as the constitutive or petrophysical responses.

Burghardt, Jeffrey A.↗

DOE OSTI2015

Supply Chain Sustainability Analysis of Whole Algae Hydrothermal Liquefaction and Upgrading

The Department of Energy’s Bioenergy Technology Office (BETO) collaborates with a wide range of institutions towards the development and deployment of biofuels and bioproducts. To facilitate this effort, BETO and its partner national laboratories develop detailed techno-economic assessments (TEA) of biofuel production technologies as part of the development of design cases and state of technology (SOT) analyses. A design case is a TEA that outlines a target case for a particular biofuel pathway. It enables preliminary identification of data gaps and research and development needs and provides goals and targets against which technology progress is assessed. On the other hand, an SOT analysis assesses progress within and across relevant technology areas based on actual experimental results relative to technical targets and cost goals from design cases and includes technical, economic, and environmental criteria as available. BETO also develops supply chain sustainability analyses (SCSA) for key biofuel production technologies that are the subject of design case or SOT analyses (Dunn et al. 2013). The SCSA utilizes a life-cycle analysis to estimate the energy use and greenhouse gas (GHG) emissions associated with biofuel production and assists in comparing several biofuel pathways. This report documents an SCSA of whole algae hydrothermal liquefaction (AHTL) as the conversion technology to produce renewable diesel (RD). Jones et al. (2014) developed the design case process model that provides the material and energy intensity of the feedstock conversion step in the SCSA. In this study, conversion of algal biomass to RD is achieved by whole AHTL, as described in the design report by Pacific Northwest National Laboratory (Jones et al., 2014). Wet algal biomass, as undisrupted cells, is converted into a liquid fuel with pressurized water in a condensed phase. The SCSA for this pathway is described.

09 BIOMASS FUELS↗

DOE OSTI2020

Bioenergy Technologies Office 2019 R&D State of Technology

The U.S. Department of Energy’s Bioenergy Technologies Office funds research and development on technologies necessary for the deployment and production of cost-competitive bioenergy, primarily biofuels. Results of experimental efforts are periodically compiled and compared with benchmark technology designs to assess overall progress. This report provides a status of those R&D efforts at the end of 2019. This report first describes the approach for assessing progress followed by specific technology pathway configurations within which progress is charted. Each pathway configuration is described separately and the state of technology progress is presented for the combined pathway as well as for pathway components. Detailed component descriptions reference technology barriers and challenges that are detailed in the appendix.

09 BIOMASS FUELS↗

DOE OSTI2015

Supply Chain Sustainability Analysis of Whole Algae Hydrothermal Liquefaction and Upgrading

The Department of Energy's Bioenergy Technology Office (BETO) collaborates with a wide range of institutions towards the development and deployment of biofuels and bioproducts. To facilitate this effort, BETO and its partner national laboratories develop detailed techno-economic assessments (TEA) of biofuel production technologies as part of the development of design cases and state of technology (SOT) analyses. A design case is a TEA that outlines a target case for a particular biofuel pathway. It enables preliminary identification of data gaps and research and development needs and provides goals and targets against which technology progress is assessed. On the other hand, an SOT analysis assesses progress within and across relevant technology areas based on actual experimental results relative to technical targets and cost goals from design cases and includes technical, economic, and environmental criteria as available. (SOT) analyses. A design case is a TEA that outlines a target case for a particular biofuel pathway. It enables preliminary identification of data gaps and research and development needs and provides goals and targets against which technology progress is assessed. On the other hand, an SOT analysis assesses progress within and across relevant technology areas based on actual experimental results relative to technical targets and cost goals from design cases and includes technical, economic, and environmental criteria as available. (SOT) analyses. A design case is a TEA that outlines a target case for a particular biofuel pathway. It enables preliminary identification of data gaps and research and development needs and provides goals and targets against which technology progress is assessed. On the other hand, an SOT analysis assesses progress within and across relevant technology areas based on actual experimental results relative to technical targets and cost goals from design cases and includes technical, economic, and environmental criteria as available.

09 BIOMASS FUELS↗

DOE OSTI2024

Measuring Sustainability of Solar Modules for Energy Transition: Mass, Energy, and Circularity

Transition to a carbon-free energy system is crucial for global decarbonization and underpins Circular Economy (CE) goals. Photovoltaic (PV) technology is required for Energy Transition, but manufacturing and circular pathways can be material, energy, and carbon-intensive. Therefore, we need a prioritization of sustainability strategies for PV evolution and lifecycle management in the context of Energy Transition. This study employs a suite of quantitative metrics to compare different proposed sustainability strategies for PV modules on their ability to achieve Energy Transition. Proposals for sustainable PV range from high-yield, high-efficiency paradigms, to short-lived and fully recyclable, to long-lasting, indestructible modules. We leverage a global decarbonization deployment schedule through 2100 with the open-source PV in Circular Economy (PV ICE) tool to quantify the impacts of different evolving module design scenarios covering the range of proposed sustainability strategies. First, modules are compared on effective capacity and required replacements to meet and maintain decarbonization capacity targets through 2100. We demonstrate the effects of lifetime, degradation, and reliability on effective capacity. Next, we quantify and compare virgin material demands and lifecycle wastes, examining the impacts of lifetime and recycling rates. Finally, and critically for renewable energy technologies, we quantify the energy demands required to achieve the decarbonization capacity targets and calculate energy balance metrics (net energy, energy return on investment). These results are then summarized into a metric matrix, demonstrating tradeoffs and the importance of longevity. Our suite of mass and energy metrics provides stakeholders and decision-makers with quantitative data on circular economy choices for PV in the energy transition, enabling informed evaluation of tradeoffs of different PV module designs and CE pathways.

circular economy↗

DOE OSTI2017

The G4Foam Experiment: Global climate impacts of regional ocean albedo modification

Reducing insolation has been proposed as a geoengineering response to global warming. Here we present the results of climate model simulations of a unique Geoengineering Model Intercomparison Project Testbed experiment to investigate the benefits and risks of a scheme that would brighten certain oceanic regions. The National Center for Atmospheric Research CESM CAM4-Chem global climate model was modified to simulate a scheme in which the albedo of the ocean surface is increased over the subtropical ocean gyres in the Southern Hemisphere. In theory, this could be accomplished using a stable, nondispersive foam, comprised of tiny, highly reflective microbubbles. Such a foam has been developed under idealized conditions, although deployment at a large scale is presently infeasible. We conducted three ensemble members of a simulation (G4Foam) from 2020 through to 2069 in which the albedo of the ocean surface is set to 0.15 (an increase of 150%) over the three subtropical ocean gyres in the Southern Hemisphere, against a background of the RCP6.0 (representative concentration pathway resulting in +6Wm -2 radiative forcing by 2100) scenario. After 2069, geoengineering is ceased, and the simulation is run for an additional 20 years. Global mean surface temperature in G4Foam is 0.6 K lower than RCP6.0, with statistically significant cooling relative to RCP6.0 south of 30°N. There is an increase in rainfall over land, most pronouncedly in the tropics during the June–July–August season, relative to both G4SSA (specified stratospheric aerosols) and RCP6.0. Heavily populated and highly cultivated regions throughout the tropics, including the Sahel, southern Asia, the Maritime Continent, Central America, and much of the Amazon experience a statistically significant increase in precipitation minus evaporation. The temperature response to the relatively modest global average forcing of -1.5 W m -2 is amplified through a series of positive cloud feedbacks, in which more shortwave radiation is reflected. Finally, the precipitation response is primarily the result of the intensification of the southern Hadley cell, as its mean position migrates northward and away from the Equator in response to the asymmetric cooling.

54 ENVIRONMENTAL SCIENCES↗