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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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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Lignin Valorization: Emerging Approaches

Lignin, an aromatic biopolymer found in plant cell walls, is a key component of lignocellulosic biomass and generally utilized for heat and power. However, lignin's chemical composition makes it an attractive source for biological and catalytic conversion to fuels and chemicals. Bringing together experts from biology, catalysis, engineering, analytical chemistry, and techno-economic/life-cycle analysis, Lignin Valorization presents a comprehensive, interdisciplinary picture of how lignocellulosic biorefineries could potentially employ lignin valorization technologies. Chapters will specifically focus on the production of fuels and chemicals from lignin and topics covered include (i) methods for isolating lignin in the context of the lignocellulosic biorefinery, (ii) thermal, chemo-catalytic, and biological methods for lignin depolymerization, (iii) chemo-catalytic and biological methods for upgrading lignin, (iv) characterization of lignin, and (v) techno-economic and life-cycle analysis of integrated processes to utilize lignin in an integrated biorefinery. The book provides the latest breakthroughs and challenges in upgrading lignin to fuels and chemicals for graduate students and researchers in academia, governmental laboratories, and industry interested in biomass conversion.

09 BIOMASS FUELS↗
DOE OSTI2021

Role of peracetic acid on the disruption of lignin packing structure and its consequence on lignin depolymerisation

Peracetic acid (PAA) is an effective oxidant capable of solubilising lignin and efficiently depolymerising it to selective phenolic compounds; however, the specific role by which PAA initiates the depolymerisation is still elusive. Herein, interaction between PAA and the lignin macromolecule and the consequent structural changes of the latter were studied by characterising the lignin packing structure and its associated changes during the oxidation process. While the lignin packing structure and its changes associated with the PAA-mediated oxidation were probed by X-ray diffraction, the impact of the PAA on different chemical functionalities present in the lignin structure was established by 13 C and 1 H– 13 C heteronuclear single-quantum coherence nuclear magnetic resonance (NMR) spectroscopy. Further, combining the NMR spectroscopy results, and the product distribution, we conclude that the predominant reaction pathway for the oxidative depolymerisation of lignin with PAA is the Baeyer–Villiger oxidation of the ketone formed by the oxidation of the benzylic hydroxyl group adjacent to the β-O-4 linkage. The experimental evidence provided herein corroborated that PAA instigates oxygen insertion to the lignin macromolecule resulting in disruption of its packing structures and facilitates depolymerisation. We also investigated various metal oxide and mixed metal oxide catalysts to identify effective catalysts that further enhance the efficiency of PAA-mediated depolymerisation of lignin and produce selective monomeric phenolic compounds. Techno-economic analysis was also conducted to identify the key parameters associated with this oxidative process that need to be considered for possible commercial application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Exploiting electricity market dynamics using flexible electrolysis units for retrofitting methanol synthesis

Here we investigate the economic viability of integrating flexible electrolysis units to produce hydrogen in methanol synthesis processes. Specifically, we investigate whether this approach can help reduce methanol production costs by strategically exploiting dynamics of electricity markets. Our study integrates high-fidelity process simulations, optimization tools, and microkinetic modeling (informed by density functional theory) to conduct detailed techno-economic analyses and to compare performance against traditional processes that use hydrogen produced via steam-methane reforming (SMR). We also use this approach to estimate the levelized cost of hydrogen (LCOH) as a function of time-varying electricity prices (from day-ahead and real-time prices) and of key techno-economic parameters. Our results show that the proposed electrification framework is cost-competitive under certain electricity market conditions. Specifically, we find that, when the electrolysis system is operated in flexible mode (and can respond to dynamics of electricity markets), the associated electricity cost nearly collapses to zero. Conversely, when the unit is not flexible (and cannot respond to markets), the electricity cost comprises 60% of the total cost. Our results also reveal that the LCOH of the flexible electrolysis system participating in real-time electricity markets is 31% lower than the LCOH obtained from SMR. Overall, this indicates that exploiting the dynamics of electricity markets can make hydrogen production cost-competitive and this can lead to viable alternatives to electrify methanol production and other hydrogen-based processes.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Modeling and Assessment of Integrated Hydroelectric Power and Hydrogen Energy Storage

Environmental and regulatory constraints are increasingly posing challenges to the optimal operation of hydroelectric facilities. Hydrogen energy storage (HES) is well-suited to address these challenges.Using excess or low-cost hydroelectric power during off-peak hours to produce hydrogen can help reduce water spills and unlock opportunities for energy arbitrage. Moreover, the oxygen byproduct of electrolysis can be used to improve the dissolved oxygen (DO) levels in tailrace water. %, a key water quality metric for hydroelectric facilities.This paper presents an innovative framework for modeling and assessing the integrated hydroelectric-hydrogen system, considering subsystem constraints and coupling, benefits in spill water reduction and DO mitigation, as well as diverse hydrogen utilization, including re-electrification, blending with natural gas, and direct sales. Comprehensive case studies were conducted to assess the techno-economic performance of the integrated system in different deployment scenarios.

Energy storage, Hydrogen, Hydropower, Optimization↗
DOE OSTI2016

A Statistical Analysis of the Economic Drivers of Battery Energy Storage in Commercial Buildings: Preprint

There is significant interest in using battery energy storage systems (BESS) to reduce peak demand charges, and therefore the life cycle cost of electricity, in commercial buildings. This paper explores the drivers of economic viability of BESS in commercial buildings through statistical analysis. A sample population of buildings was generated, a techno-economic optimization model was used to size and dispatch the BESS, and the resulting optimal BESS sizes were analyzed for relevant predictor variables. Explanatory regression analyses were used to demonstrate that peak demand charges are the most significant predictor of an economically viable battery, and that the shape of the load profile is the most significant predictor of the size of the battery.

25 ENERGY STORAGE↗
DOE OSTI2021

Exploring PV Circularity by Modeling Socio-Technical Dynamics of Modules’ End-of-Life Management

The circular economy (CE) tackles environmental and resource scarcity issues by maximizing value retention in the economy. The concept implies design strategies such as reducing the use of materials or improving products’ durability and end-of-life (EOL) strategies, for example, reusing products and components and recycling materials. With an estimated 80 million tons of global cumulative EOL photovoltaic (PV) modules, applying CE principles to the PV industry could alleviate resource scarcity issues while also providing economic benefits. However, transitioning to a CE may imply changes in organizations and consumer behaviors. In this context, assessment of CE strategies may require accounting for behavioral change, a requirement that methods from complex system science such as agent-based modeling meet. Thus, this paper uses an agent-based modeling (ABM) approach to study circularity in the photovoltaics supply chain. Four types of agents are represented in the ABM: PV owners, installers, recyclers, and manufacturers. Moreover, five possible EOL options – including three CE strategies – are modeled. Departing from traditional techno-economic analysis, the model includes techno-economic factors as well as social factors to model EOL management decisions. Results show that each dollar decrease in the recycling fees improves the recycling rate by roughly 1.1%. However, excluding social factors underestimates the effect that lower recycling prices have on material circularity.

agent-based modeling↗
DOE OSTI2025

Beyond Price-Taker: Multiscale Optimization of Wind and Battery Integrated Energy Systems

Integrating renewable energy into the electric grid is challenging due to the intermittency and variability of wind and other non-dispatchable resources. Integrated energy systems (IESs) combine multiple energy technologies (e.g., fossil, nuclear, renewables, storage) to reduce costs and improve flexibility and reliability. However, standard techno-economic analysis (TEA) methods often overestimate the benefits of IESs because they fail to account for energy market adjustments. This paper systematically studies the limitations of the prevailing price-taker assumption for TEA and optimization of hybrid energy systems. As an illustrative case study, we retrofit an existing wind farm in the RTS-GMLC test system (which loosely mimics the Southwest U.S.) with battery energy storage to form an IES. We show that the standard price-taker model overestimates the electricity revenue and the net present value (NPV) of the IES up to 178% and 30.4%, respectively, compared to our more rigorous multiscale optimization. These differences arise because introducing storage creates a more flexible resource that impacts the larger wholesale electricity market. Moreover, this work highlights the impact of the IES has on the market via various strategic bidding, and underscores the importance of moving beyond price-taker for optimal storage sizing and TEA of IESs. We conclude by discussing opportunities to generalize the proposed framework to other IESs, and highlight emerging research questions regarding the complex interactions between IESs and markets.

25 ENERGY STORAGE↗
DOE OSTI2026

Asynchronous Grid Connections Providing Fast-Frequency Response: System Integration Study

This paper presents an integration study for the recent power electronic-based fast-frequency response technology, "asynchronous grid connection" which operates as an aggregator for behind-the-meter resources and distributed generators. Both technical feasibility and techno-economic viability studies are presented. The fast-frequency response characteristics, validated against Power Hardware-in-the-Loop experiments, are integrated into an IEEE 9- bus system in DigSilent PowerFactory for system-level dynamic analysis. It demonstrates that droop-based control enhancements to local distributed generators allow their aggregation to provide grid-supporting functionalities and participate in the ancillary service markets. To this end, a long-term simulation embedding the system within the ancillary service market framework of PJM has been performed. The fast-frequency response regulation is subsequently used to calculate the potential revenue and project the results on a 15-year investment horizon. Finally, the techno-economic analysis provides recommendations for enhancements to access the full potential of distributed generators on a technical and regulatory level.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Biomanufacturing and Scale-Up: Pathways to Biochemicals, Biofuels, and Biomaterials

Advancing the bioeconomy requires the development of large-scale microbial bioprocesses capable of converting waste carbon streams into biofuels, biochemicals, and biomaterials at industrially relevant scales. While biomanufacturing has been successfully demonstrated at the laboratory scale for a wide range of chemicals, only a few have reached industrial-scale production. This is partly due to the inherent complexity of microbial systems, which rely on living cells with intricate metabolic pathways that are highly sensitive to environmental changes, making large-scale production difficult to optimize and predict. As a result, scaling-up bioprocesses remains a high-stakes challenge that requires deeper exploration. This involves integrating feedstock and microbial selection, upstream and downstream processes, and computational modelling, among other research efforts. Bulk and specialty chemicals derived from biological processes also face competition from fossil-based production routes, which have been refined through decades of technological advancements. While biologically derived molecules may offer more environmentally friendly production pathways than traditional chemical manufacturing, their widespread adoption depends on achieving cost parity-or superiority-relative to fossil-based methods. This emphasizes the importance of holistic research, including techno-economic analyses and life cycle assessments, to ensure both economic viability and environmental sustainability. This editorial and special issue explores state-of-the-art strategies for converting waste carbon sources into valuable products. It discusses how enzymes, single microbes (e.g., extremophiles), and microbiomes (e.g., through division of labor) can be integrated with upstream and downstream process innovations-such as consolidated bioprocessing and in situ product recovery-to improve the efficiency and scalability of biomanufacturing. The editorial further highlights the role of computational modelling in understanding, predicting, and controlling bioprocess performance across scales, and concludes by emphasizing the importance of techno-economic modelling to identify technologies that can move to market.

09 BIOMASS FUELS↗
DOE OSTI2014

REopt: A Platform for Energy System Integration and Optimization: Preprint

REopt is NREL's energy planning platform offering concurrent, multi-technology integration and optimization capabilities to help clients meet their cost savings and energy performance goals. The REopt platform provides techno-economic decision-support analysis throughout the energy planning process, from agency-level screening and macro planning to project development to energy asset operation. REopt employs an integrated approach to optimizing a site?s energy costs by considering electricity and thermal consumption, resource availability, complex tariff structures including time-of-use, demand and sell-back rates, incentives, net-metering, and interconnection limits. Formulated as a mixed integer linear program, REopt recommends an optimally-sized mix of conventional and renewable energy, and energy storage technologies; estimates the net present value associated with implementing those technologies; and provides the cost-optimal dispatch strategy for operating them at maximum economic efficiency. The REopt platform can be customized to address a variety of energy optimization scenarios including policy, microgrid, and operational energy applications. This paper presents the REopt techno-economic model along with two examples of recently completed analysis projects.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

MODELING AND TESTING OF A NOVEL ULTRA-LOW TEMPERATURE SCO2 OPPOSING PISTON EXPANDER

The Flameless Pressurized Oxy-Combustion (FPO) cycle, a novel flexible fuel technology, is being developed into a large pilot. This effort seeks to complete the preliminary engineering and planning of a 25 MWth Pilot Plant that will demonstrate the technology for scale-up to a commercial unit. The technology, pioneered by ITEA at the 5 MWth scale, must be brought to a higher technology readiness level (TRL) to be viable at the commercial scale. The 25 MWth pilot cycle was optimized for cost and technology development and demonstration. Preliminary drawings, layouts, and plans were defined. Process flow diagrams were used to describe the pilot configuration in greater detail. A heat and mass balance with stream data was created. A master equipment list specified the operating conditions for major pieces of equipment within the pilot using this heat and mass balance. The 25 MWth FPO pilot is assessed for environmental performance. A test campaign is developed to assess the type of test and number of hours required for pilot demonstration. The environmental performance is compared against projected performance at the commercial scale. This project builds upon extensive evaluation of the techno-economic performance of the FPO technology already performed by ITEA. This includes system improvements, such as the addition of a turbo-expander to the flue gas stream. Some of the performance-enhancing components are not as well defined as others. The primary goal of this effort was to bring all of the core cycle components to the same level of design maturity. A techno-economic assessment (TEA) evaluated the FPO technology at the commercial scale in comparison to the NETL baseline cases. The reference plants were used in combination with proprietary equipment estimates to build a plant capital cost and cost of electricity evaluation. FPO performed better than the sub-bituminous post-combustion capture cases. Further preliminary estimates of improvements to the FPO cycle show even further gains when compared to conventional carbon capture methods.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2018

Ground Level Integrated Diverse Energy Storage (GLIDES) Cost Analysis

With the increasing penetration of renewable energy, the need for advanced flexible/scalable energy storage technologies with high round-trip efficiency (RTE) and high energy density has become critical. In this paper, a techno-economic model of a novel energy storage technology developed by the Oak Ridge National Laboratory (ORNL) is presented and used to estimate the technology’s capital cost. Ground-Level Integrated Diverse Energy Storage (GLIDES) is an energy storage technology with high efficiency which can store energy via input of electricity and heat and supply dispatchable electricity. GLIDES stores energy by compressing and expanding a gas using a liquid piston. GLIDES performance has been extensively studied analytically and experimentally. This study aims to develop a comprehensive combined performance and cost modeling environment. With the desired system storage capacity kilowattage, storage time (hours), and an initial RTE guess as inputs, the model optimizes the selection of system components to minimize the capital cost. The techno-economic model described in this paper can provide preliminary cost estimates and corresponding performance for various system sizes and storage times.

Kassaee, Saiid↗
DOE OSTI2015

Novel Application of Carbonate Fuel Cell for Capturing Carbon Dioxide from Flue Gas Streams

To address concerns about climate change resulting from emission of CO2 by coal-fueled power plants, FuelCell Energy, Inc. has developed the Combined Electric Power and Carbon-dioxide Separation (CEPACS) system concept. The CEPACS system utilizes Electrochemical Membrane (ECM) technology derived from the Company’s Direct FuelCell® products. The system separates the CO2 from the flue gas of other plants and produces electric power using a supplementary fuel. FCE is currently evaluating the use of ECM to cost effectively separate CO2 from the flue gas of Pulverized Coal (PC) power plants under a U.S. Department of Energy contract. The overarching objective of the project is to verify that the ECM can achieve at least 90% CO2 capture from the flue gas with no more than 35% increase in the cost of electricity. The project activities include: 1) laboratory scale operational and performance tests of a membrane assembly, 2) performance tests of the membrane to evaluate the effects of impurities present in the coal plant flue gas, in collaboration with Pacific Northwest National Laboratory, 3) techno-economic analysis for an ECM-based CO2 capture system applied to a 550 MW existing PC plant, in partnership with URS Corporation, and 4) bench scale (11.7 m2 area) testing of an ECM-based CO2 separation and purification system.

CO2 separation, Carbon capture, electrochemical me↗
DOE OSTI2020

CE ABM (Circular Economy Agent-Based Model) [SWR 20-113]

The CE ABM framework aims to evaluate the techno-economic, market, and social conditions that maximize the value retention and minimize raw material inputs of different circular economy (CE) strategies. Several types of agents are defined in the model, such as asset owners, service providers, recyclers, and manufacturers and modeled CE strategies are design-for-circularity, products and components reuse, and recycling. In addition to techno-economic relations, the CE ABM framework accounts for behavioral factors such as social norms and trust. (Title previously known as "ABSiCE (Agent-Based Simulations of the Circular Economy)". Updated Oct 27, 2023)

Walzberg, Julien↗
DOE OSTI2020

BioSTEAMDevelopmentGroup/thermosteam

BioSTEAM is a fast and flexible package for the design, simulation, and techno-economic analysis of biorefineries under uncertainty. BioSTEAM’s framework is built to streamline and automate early-stage technology evaluations and to enable rigorous sensitivity and uncertainty analyses. Complete biorefinery configurations are available at the Bioindustrial-Park GitHub repository, BioSTEAM’s premier repository for biorefinery models and results. The long-term growth and maintenance of BioSTEAM is supported through both community-led development and the research institutions invested in BioSTEAM. Through the open-source and community-lead platform, BioSTEAM aims to foster communication and transparency within the biorefinery research community for an integrated effort to expedite the evaluation of candidate biofuels and bioproducts. Additionally, an agile life cycle assessment (LCA) platform has been designed to interface with BioSTEAM, BioSTEAM-LCA. This open-source, installable package allows users to perform streamlined LCAs of biorefineries. The focus of BioSTEAM-LCA is to streamline and automate early-stage environmental impact analyses of processes and technologies, and to enable rigorous sensitivity and uncertainty analyses linking process design, performance, economics, and environmental impacts. ThermoSTEAM is a standalone thermodynamic engine capable of estimating mixture properties, solving thermodynamic phase equilibria, and modeling stoichiometric reactions. ThermoSTEAM builds upon chemicals, the chemical properties component of the Chemical Engineering Design Library, with a robust and flexible framework that facilitates the creation of property packages. The Biorefinery Simulation and Techno-Economic Analysis Modules (BioSTEAM) is dependent on ThermoSTEAM for the simulation of unit operations.

Cortes-Peña, Yoel↗
DOE OSTI2026

Data for An End-to-End Pipeline for Succinic Acid Production at an Industrially Relevant Scale Using Issatchenkia orientalis

Microbial production of succinic acid (SA) at an industrially relevant scale has been hindered by high downstream processing costs arising from neutral pH fermentation for over three decades. Here, we metabolically engineer the acid-tolerant yeast Issatchenkia orientalis for SA production, attaining the highest titers in sugar-based media at low pH (pH 3) in fed-batch fermentations, i.e. 109.5 g/L in minimal medium and 104.6 g/L in sugarcane juice medium. We further perform batch fermentation using sugarcane juice medium in a pilot-scale fermenter (300×) and achieve 63.1 g/L of SA, which can be directly crystallized with a yield of 64.0%. Finally, we simulate an end-to-end low-pH SA production pipeline, and techno-economic analysis and life cycle assessment indicate our process is financially viable and can reduce greenhouse gas emissions by 34–90% relative to fossil-based production processes. We expect I. orientalis can serve as a general industrial platform for production of organic acids.

Metabolomics↗