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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Analysis of carbon capture at cellulosic biorefineries

The large-scale production of cellulosic biofuels would involve spatially distributed systems including biomass fields, logistics networks and biorefineries. Better understanding of the interactions between landscape-related decisions and the design of biorefineries with carbon capture and storage (CCS) in a supply chain context is needed to enable efficient systems. Here we analyse the cost and greenhouse gas mitigation potential for cellulosic biofuel supply chains in the US Midwest using realistic spatially explicit land availability and crop productivity data and consider fuel conversion technologies with detailed CCS design for their associated CO2 streams.

carbon capture and storage (CCS)↗
DOE OSTI2020

NREL's Capabilities in Biorefinery Analysis

NREL remains at the forefront of expertise in conducting process, techno-economic, and life cycle analyses to connect research with future commercial process integration, a critical step in the scale-up of biomass conversion technologies. Technology areas covered include lignocellulosic biorefineries, algae, CO2 utilization, waste-to-energy, aviation and marine fuels, refinery modeling and analysis, and the circular economy.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2022

Carbon Conversion Technologies - NETL Techno-Economic Analysis Guidelines

This presentation was delivered as part of the Global CO2 Initiative and NETL sponsored workshop, 2022 CCU TEA and LCA Guidance - A Harmonized Approach. The presentation highlights the intent and content of forthcoming NETL guidance documents and toolsets on conducting techno-economic analysis on carbon conversion technologies. Specifically discussed are the "Performing a TEA for Carbon Conversion Technologies" guidance document, the "Cost Scaling Methodology Specific to Carbon Conversion Technologies," and brief highlights of upcoming work products.

Henry, Samuel↗
DOE OSTI2025

A review on advances in oxidative coupling of methane (OCM) for industrial use and prospects of CO 2 –H 2 O splitting integration

The discovery of shale gas reserves has encouraged the development of direct methods for methane conversion into valuable chemicals, offering an alternative to indirect approaches that involve an energy-intensive and intermittent syngas production step, leading to high CO 2 emissions. Amongst the direct methods, the oxidative coupling of methane (OCM) is a potential pathway to reduce CO 2 emissions and can produce commodity chemicals such as ethylene, a chemical regarded as central to the petrochemical industry. Even though OCM has been studied for over four decades, the technology still has not found commercial application. Amongst the challenges regarding industrial deployment of OCM, the most significant one is the requirement of a high ethylene yield of 30 % which is currently reported to be around 20 %. Moreover, the highly exothermic nature of the process and controlling the carbon selectivity over oxides of carbon (COx) is the heart of the problem. Numerous researchers have presented promising results in terms of catalysts, reactor designs and feeding strategies for OCM. However, due to lack of inclusiveness in the results, none of the combination of catalysts, reactors and system optimizations has been able to bring about its industrial viability. The current paper presents an extensive review of the noteworthy attempts to achieve industrial targets for OCM. Moreover, a comprehensive criteria is presented which highlights the desired end state for the industrial deployment of OCM technology. Furthermore, the criteria is based on literature survey and a comparison with industrially deployed ethylene production plants i.e., naphtha or ethane steam cracker plants. Finally, a novel integration technology is presented which includes a combination of OCM and CO 2 -H 2 O splitting in a chemical looping reactor design to enable efficient energy utilization and minimal heat losses to the environment.

CO2 Splitting↗
DOE OSTI2024

Enhancing Direct Electrochemical CO 2 Electrolysis by Introducing A-Site Deficiency for the Dual-Phase Pr(Ca)Fe(Ni)O 3-δ Cathode

High-temperature CO 2 electrolysis via solid oxide electrolysis cells (CO 2 –SOECs) has drawn special attention due to the high energy convention efficiency, fast electrode kinetics, and great potential in carbon cycling. However, the development of cathode materials with high catalytic activity and chemical stability for pure CO 2 electrolysis is still a great challenge. In this work, A-site cation deficient dual-phase material, namely (Pr 0.4 Ca 0.6 ) x Fe 0.8 Ni 0.2 O 3-δ (PCFN, x = 1, 0.95, and 0.9), has been designed as the fuel electrode for a pure CO 2 –SOEC, which presents superior electrochemical performance. Among all these compositions, (Pr 0.4 Ca 0.6 ) 0.95 Fe 0.8 Ni 0.2 O 3-δ (PCFN95) exhibited the lowest polarization resistance of 0.458 Ω cm 2 at open-circuit voltage and 800 °C. The application of PCFN95 as the cathode in a single cell yields an impressive electrolysis current density of 1.76 A cm -2 at 1.5 V and 800 °C, which is 76% higher than that of single cells with stoichiometric Pr 0.4 Ca 0.6 Fe 0.8 Ni 0.2 O 3-δ (PCFN100) cathode. The effects of A-site deficiency on materials' phase structure and physicochemical properties are also systematically investigated. Such an enhancement in electrochemical performance is attributed to the promotion of effective CO 2 adsorption, as well as the improved electrode kinetics resulting from the A-site deficiency.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Engineering-Scale Testing of the Biphasic Solvent Based CO 2 Absorption Capture Technology at a Covanta Waste-to-Energy Facility

The original goals of this project were to advance the development and demonstration of the Biphasic CO 2 Absorption Process (BiCAP) technology for CO 2 capture from waste-to-energy (WTE) generation at a 2.5 tonne per day (TPD) engineering scale. This project has primarily focused on the basic design of the 2.5 TPD pilot system within the inside battery limits pertaining to CO 2 capture. The project also conducted a preliminary techno-economic analysis (TEA) for BiCAP at a scale of 100,000 tonne per year (TPY) of CO 2 capture and a preliminary life cycle analysis (LCA) with a primary focus on the environmental impacts related to global warming potential.

09 BIOMASS FUELS↗
DOE OSTI2024

Experimental Combustion and Flame Characterization of a Chemical Looping-Based Oxidative Dehydrogenation Byproduct Fuel Mixture Containing High CO2 Dilution

Abstract This study investigates the combustion performance of a CO2-rich fuel mixture containing ethane and methane as active species using a constant volume combustion chamber. This fuel is obtained as a byproduct of a chemical looping-based oxidative dehydrogenation (Cl-ODH) process ethylene production. The byproduct gas mixture has 40.79% CO2, 39.49% ethane, and 4.88% methane by weight with other minor compounds. Using this fuel for energy extraction would improve the process efficiency of the ethane to ethylene conversion. After initial combustion modeling, the gas fuel mixture was reduced to just the major species: CO2, ethane, and methane. The mixture was then tested for flammability limits and combustion performance under spark-ignition conditions. Effects of ambient conditions like temperatures between 300 and 400 K with initial pressures from 1 to 10 bar were tested. The effects of stoichiometry were tested to understand flame velocities and heat release. The fuel mixture showed an overall reduced flame velocity compared to gasoline. Instability in combustion was believed to be caused by the dissociation of ethane under elevated conditions. At higher pressures, the flame produces lower cumulative heat release. Simulations were also performed using a model tuned to replicate the operations of the combustion chamber used in the experiments. Heat release and unburnt fuel mass data were calculated to identify the discrepancies in the combustion completeness at elevated pressures. The effects of CO2 quenching the flame coupled with the increased dissociation of the fuel species can lead to up to more than 75% of the fuel mixture being unburnt. Data from this study were used to modify a small-scale spark-ignition engine to use this fuel and produce usable energy.

Energy & Fuels↗
DOE OSTI2021

Case Study: Hybrid Carbon Conversion Using Low-Carbon Energy Sources in Coal-Producing States

The demand for more carbon efficient power sources and a decrease in natural gas prices has decreased the desire for coal power. This decrease in demand has led to massive job losses in coal mining regions over the past decade. The purpose of this project is to develop a hybrid energy system utilizing both a coal power plant and advanced reactor, which is competitive with natural gas by improving on profitability and decreasing carbon emissions. This report details the problem with a summary of the impact on the coal industry and the availability of renewable energy sources in the Appalachian region. Because of the geography of the region, variable renewable energy sources are not available without significant size and siting restrictions. However, biomass in the form of wood waste is abundant and can be used as a carbon neutral energy source. Combining biomass and coal processing, in addition to thermal power plants, can increase system profits and efficiency by providing peaking power and conversion opportunities for secondary markets. The electric load is based on publicly available demand data from Appalachian Power, which services the western Virginia and southern West Virginia in the Appalachian region. The demand information is combined by service, normalized, and scaled to an average demand of 1000 kW, which will be the basis for sizing the hybrid energy system. A traditional screening curve analysis for a coal plant and advanced reactor shows that the least cost design varies significantly based on the assumed discount rate and capital recovery period. An optimization program to size the design in TEAL based on the load curve gives 10 optimal designs, all with a negative resulting net present value (NPV) and a coal plant capacity of less than 15%. Including profits from selling captured carbon at a flat rate results in a positive NPV; however, the coal capacity factor only increases to about 40%. There are limitations with this optimization as well since the price of CO2 is likely to decrease as more is sold to the conversion market. The suggested design will combine coal power, an advanced reactor, and coal and biomass coprocessing to produce a variety of products that can be sold to the conversion market while increasing system efficiency. The analysis of conversion pathways for coal and biomass reveals that multiple options will need to be included in the analysis to produce the optimal system design. Three systems will be optimized and compared to determine the best design based on the figures of merit of total NPV and cost of carbon avoided. The first system will include a coal power plant and an advanced reactor that will sell electricity to the grid to meet demand and sell captured carbon to the conversion market. The second system adds a high-temperature steam electrolysis plant, which will utilize electricity during times of low demand to produce hydrogen and sell it to the conversion market. The third system adds biomass and coal processing with options for hydrocarbon oils, syngas to be produced for the conversion market, and electricity generation to power components within the system or provide peaking power. This analysis will be based on a new approach that combines traditional screening curve methods with a dispatch algorithm that optimizes the system based on the opportunity cost of different production options. The resulting optimization algorithm should provide results with less processing time than HERON’s decision tree method. The results from this analysis will determine an optimal design and reinforce the benefits of coal power when used in a hybrid energy system. The initial results show that the addition of a secondary market for carbon sales could result in a positive NPV and increases the capacity factor of the coal plant as compared to a design with only sales to the electricity market. The addition of more markets and additional coal consumption from biomass coprocessing could increase NPV further, replace carbon in other markets through the sale of biomass-derived hydrocarbons, and demonstrate the value of coal power technology.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Today's Energy Challenges, Tomorrow's Solutions: Electrons to Molecules: Building a New Foundation for Industrial Processes

The vast majority of global goods and materials we use on a daily basis are manufactured from fossil fuel precursors - chemical building blocks strung together using combinations of heat, pressure, and chemical catalysis. NREL, along with energy industry partners, is exploring the use of renewable, affordable electricity as the driving force for the conversion of low-energy molecules - such as water and carbon dioxide (CO2) - to generate other molecules that could be used as chemicals, materials, fuels, or energy storage.Through this research, NREL and its partners are working together to determine the most efficient and cost-effective solutions for energy storage as well as safer ways to create chemicals and plastics that do not rely solely on fossil fuels.

affordable electricity↗
DOE OSTI2022

Acetyl-CoA Synthesis Through a Bicyclic Carbon-Fixing Pathway in Gas-Fermenting Bacteria

Gas-fermenting acetogens can upgrade one-carbon (C1) compounds (such as CO2 and CO) to the two-carbon (C2) metabolite acetyl coenzyme A (CoA) and convert sugar feedstocks to acetyl-CoA with minimal CO2 emissions. Fulfilling the biosynthetic potential of these microbes requires overcoming challenges in pathway engineering. Here we design a synthetic acetyl-CoA bi-cycle-in addition to the natural carbon-fixing pathways-for C2 metabolite synthesis. This pathway produces an acetyl-CoA by fixation of two CO2 equivalents via three functional modules acting in sequence: carbon fixation, gluconeogenesis and non-oxidative glycolysis. The pathway was examined by in silico thermodynamic and kinetic analyses. The prototypic pathway was implemented in a syngas-fermenting organism, Clostridium ljungdahlii DSM 13528, by expressing a heterologous phosphoketolase that can work with other native enzymes in the host acetogen. The carbon conversion pathway is possible under various growth conditions and is independent of the Wood-Ljungdahl pathway for the valorization of H2 and CO2. This study reports the improvement of carbon conversion using a reductive acetyl-CoA bi-cycle and the potential impact of redox homoeostasis in the acetogenic host for industrial applications of gas fermentation.

Acetyl-CoA↗
DOE OSTI2025

Improving Conversion of Captured CO 2 on Mixed-Oxide Dual-Function Materials by Low-Concentration Metal Promotion

Reactive carbon capture (RCC) is a promising nascent approach to harness the untapped resource of waste CO 2 to produce fuels and platform chemicals. However, process economics relies on the design of dual-function materials (DFMs) that exhibit maximal conversion of captured CO 2 and high selectivity toward valuable carbon products (e.g., CO). Herein, we report the use of low-concentration (ca. 0.5 wt %) metal promotors (Pt and Au) to improve the conversion of captured CO 2 on a Zn-Al mixed-oxide DFM by >30%, while also more than doubling per-cycle CO yield due to enhanced retention of captured CO 2 and H 2 activation. In situ DRIFTS of bound CO 2 on the DFMs showed distinctions in surface carbonate formation for the Pt- and Au-modified materials that were correlated with product evolution during the reactive desorption step of RCC. Particularly, Pt afforded superior H 2 activation but formed irreversibly-bound bicarbonates, compromising overall productivity, while the Na/Au/ZA DFM predominantly adsorbed CO 2 on Na sites, resulting in polydentate carbonates that are retained until higher temperatures before conversion to CO. In conclusion, these results indicate that adding a low concentration of oxidation-resistant noble metals, especially Au, is an effective strategy for improving key performance metrics of Zn-Al mixed-oxide DFMs to further advance the development of scalable RCC technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Optimizing Cupriavidus necator H16 as a host for aerobic C1 conversion

Biological systems capable of converting CO 2 or CO 2 -derived, single-carbon (C1) compounds can be used to reduce or reverse carbon emissions while establishing a circular bioeconomy to provide sustainable sources of the fuels, foods, and materials humanity relies on. A robust bioeconomy will rely upon a variety of microorganisms capable of assimilating C1 compounds and converting them to valuable products at industrial scale. While anaerobic microbes are ideal hosts for production of short-chain acids and alcohols, microbes capable of aerobic respiration are well suited for biosynthesis of higher molecular weight products. One such organism is the gram-negative soil bacterium Cupriavidus necator, which has been utilized in commercial production of biopolymers for decades. More recently, its capability of robust, aerobic growth on CO 2 has inspired research efforts that have advanced it toward becoming one of the leading bacterial hosts for C1-based biomanufacturing. This review highlights those efforts in the context of the characteristics that have historically made C. necator an excellent host for industrial bioconversion processes: its metabolic versatility, ability to grow rapidly to high cell densities, and genetic amenability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A catalyst that never rests: Cu/ZnO/Al2O3 under CO2 hydrogenation

For decades, the identity of the active site responsible for carbon dioxide-to-methanol conversion on industrial Cu/ZnO/Al₂O₃ has remained at the center of debate in catalysis. In a recent Nature Catalysis study, Lunkenbein and co-workers use operando transmission electron microscopy to reveal this catalyst in constant motion, cycling between alloyed, oxidized, and encapsulated states as it responds to the competing drives of carbon dioxide activation and hydrogenation.

03 NATURAL GAS↗
DOE OSTI2021

Technoeconomic and Life Cycle Analysis of Synthetic Methanol Production from Hydrogen and Industrial Byproduct CO 2

Here CO 2 capture and utilization provides an alternative pathway for low-carbon hydrocarbon production. Given the ample supply of high-purity CO 2 emitted from ethanol and ammonia plants, this study conducted technoeconomic analysis and environmental life cycle analysis of several systems: integrated methanol-ethanol coproduction, integrated methanol-ammonia coproduction, and stand-alone methanol production systems, using CO 2 feedstock from ethanol plants, ammonia plants, and general market CO 2 supply. The cradle-to-grave greenhouse gas emissions of methanol produced from the stand-alone methanol, integrated methanol-ethanol, and integrated methanol-ammonia systems are 13.6, 37.9, and 84.6 g CO 2 -equiv/MJ, respectively, compared to 91.5 g CO 2 -equiv/MJ of conventional methanol produced from natural gas. The minimum fuel selling price (MFSP) of methanol ($\$0.61-0.64$/kg) is 61-68% higher than the average market methanol price of $\$0.38$/kg, when using a Department of Energy target renewable hydrogen production price of $\$2.0$/kg. The methanol price increases to $\$1.24-1.28$/kg when the hydrogen price is $\$5.0$/kg. Without CO 2 abatement credits, the H 2 price needs to be within $\$0.77-0.95$/kg for the MFSP of methanol to equal the average methanol market price. With a CO 2 credit of $\$35$/MT according to tax credit per metric ton of CO 2 captured and used, the methanol price is reduced to $\$0.56-0.59$/kg.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Chapter 10: Electrochemical Reactors

An electrolyzer capable of converting CO2 into carbon-based fuels and chemicals will need to operate at current densities in excess of 200 mA cm-2 for industrial applications. This chapter provides a comprehensive review of design considerations for electrolytic flow cell reactors capable of operation at these high current densities. We highlight how the dynamic chemical environment at these conditions is differentiated from experimental conditions more common to academic investigations, and provide a survey of reactor architectures that are being investigated for mediating the CO2 reduction reaction.

carbon-based fuels↗
DOE OSTI2026

Kinetics of Hydrogen Generation from In-Situ Methane Pyrolysis: Enhanced by Electromagnetic Heating and Natural Catalysts of Reservoir Rocks

Catalytic pyrolysis of methane (CH4) is a promising approach to generate hydrogen (H2). The apparent activation energy of this process has a significant influence on the efficiency and required temperature for H2 generation. Preliminary experiments indicate that minerals present in shales have catalytic effects during in-situ H2 generation from shale reservoirs under electromagnetic (EM) heating. However, the quantitative role of such natural catalysts on apparent activation energy is not explored yet. This research evaluated the role of reservoir rock (shale) in EM heating and on the apparent activation energy of methane pyrolysis (MP) for in-situ H2 generation. Experiments are conducted in a customized EM reactor with frequency 2.45 GHz, and reaction temperature and generated gases are measured by a real-time IR pyrometer and gas analyzer, respectively. It is found that shale samples experienced thermal runway (TR) at 420 ºC under 0.15 kW EM power without any artificial heating promoter. In the presence of spent shale, CH4 conversion started approximately at 600 ºC with negligible amount of carbon dioxide (CO2) generated during this process. We further calculated apparent reaction order and apparent activation energy for MP process in the presence of shale under EM heating, which are 0.4357 and 98.12 kJ/mol, respectively. This research paves a way for leveraging the role of minerals as natural catalysts for enhancing H2 generation under EM heating in petroleum reservoirs.

02 PETROLEUM↗
DOE OSTI2022

Electrochemical CO2 Reduction over Metal-/Nitrogen-Doped Graphene Single-Atom Catalysts Modeled Using the Grand-Canonical Density Functional Theory

Renewably driven, electrochemical conversion of carbon dioxide into value-added products is expected to be a critical tool in global decarbonization. However, theoretical studies based on the computational hydrogen electrode largely ignore the nonlinear effects of the applied potential on the calculated results, leading to inaccurate predictions of catalytic behavior or mechanistic pathways. Here, we use grand canonical density functional theory (GC-DFT) to model electrochemical CO2 reduction (CO2R) over metal- and nitrogen-doped graphene catalysts (MNCs) and explicitly include the effects of the applied potential. We used GC-DFT to compute the CO2 to CO reaction intermediate energies at -0.3, -0.7, and -1.2 VSHE catalyzed by MNCs each doped with 1 of the 10 3d block metals coordinated by four pyridinic nitrogen atoms. Our results predict that Sc-, Ti-, Co-, Cu-, and Zn-N4Cs effectively catalyze CO2R at moderate to large reducing potentials (-0.7 to -1.2 VSHE). ZnN4C is a particularly promising electrocatalyst for CO2R to CO both at low and moderate applied potentials based on our thermodynamic analysis. Our findings also explain the observed pH independence of CO production over FeN4C and predict that the rate-determining step of CO2R over FeN4C is not *CO2- formation but rather *CO desorption. Additionally, the GC-DFT-computed density of states analysis illustrates how the electronic states of MNCs and adsorbates change non-uniformly with applied potential, resulting in a significantly increased *CO2- stability relative to other intermediates and demonstrating that the formation of the adsorbed *CO2- anion is critical to CO2R activation. This work demonstrates how GC-DFT paves the way for physically realistic and accurate theoretical simulations of reacting electrochemical systems.

CO2 reduction↗