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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Developing Science-based fueling protocols for 250-bar hydrogen tanks onboard hydrogen ferries: Experiments and modeling

Combined modeling and experimental studies are reported of the fueling of a large (28 kg capacity) 250-bar Type IV hydrogen tank of the type being deployed on early hydrogen ferries, such as the MV Sea Change. The primary goal was to determine how such tanks can be successfully fueled with hydrogen (state of charge greater than 97%) within 45 minutes without exceeding the 82 °C temperature limit for such tanks. The modeling studies show that a gas injector is needed to avoid thermal stratification during hydrogen fueling which can result in potential hot spots. Empirically, precooling of the hydrogen to 0 °C was found to be needed in some of the cases examined, as ambient conditions greatly affected the need for a precooling to achieve the 45-minute fill time desired by end users. The experimental results afforded a calibration of the engineering model SOFIL for these large 250-bar tanks, which now enables using SOFIL to predict volume-averaged hydrogen fueling temperatures to an accuracy of ±2.7°C for these tanks. The model can therefore be used to evaluate potential scenarios for development of a standardized fueling methodology for ferries utilizing large Type-IV tanks.

08 HYDROGEN↗
DOE OSTI2025

Hot Hydrogen Exposure of U x Zr 1-x C y Nuclear Fuel: The Effect of Additional Carbon

Nuclear thermal propulsion (NTP) using hydrogen as propellant in a solid-state fission reactor to reach temperatures of up to 3000K can achieve significantly higher specific impulse than chemical propulsion. A promising fuel that is again considered for NTP is U x Zr 1-x C y . To reduce the overall mass loss as well as the uranium fuel loss, a range of experiments using additional carbon in hot hydrogen (2600 K, 6 SLPM flow rate) were performed for up to 5-6 h. Both a CH 4 addition (0.1 and 0.2 vol%) in the hydrogen stream and the use of sacrificial graphite pieces upstream of the samples were tested, with sample compositions from 5 at% UC to 30 at% UC. The results showed a strong reduction of mass loss, up to a factor of 3, as well as a reduction of surface uranium losses in the presence of additional carbon in the atmosphere. Even with additional carbon in the atmosphere, material with 30 at% UC was not stable, but material with 20 at% UC was stable for up to 6h. The sample surfaces showed texturing after processing, possibly by grain growth on the surface. This led to a separation into grains with high uranium content close to the (100)-orientation, and with low uranium content in grains close to the (111)-orientation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Effects of non-thermal termolecular reactions on detonation development in hydrogen (H 2 )/methane (CH 4 ) - air mixtures

The binary fuel blend of H 2 /CH 4 is one of the most promising hydrogen-enriched hydrocarbon fuels in spark-ignition (SI) engines. Yet, the undesirable phenomenon of super-knock, which can severely and in-stantaneously damage an SI engine, limits its widespread adoption. Moreover, there is still a lack of con-sensus on the precise mechanism by which this phenomenon occurs i.e. via flame acceleration or spon-taneous ignition, despite numerous previous investigations. At the same time, recent studies [M. P. Burke, S. J. Klippenstein, Nat. Chem. 9 (2017) 1078 -1082, Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515-522] have demonstrated a high probability of occurrence of non-thermal reactions in premixed flames of such H 2 /CH 4 fuel blends with air due to the presence of non-trivial amounts of highly reactive radicals including H, O and OH apart from O 2 . The present study focuses on the evolution of an initial deflagration front to a detonation wave in H 2 /CH 4 - air mixtures under SI engine relevant conditions through fully resolved, constant volume 1D simulations with and without non-thermal reactivity. Non-thermal reactions were included in the macroscopic kinetics model as chemically termolecular reactions facilitated by the H + CH 3 and H + OH radical-radical recombination and the H + O 2 radical-molecule association reactions. Further, the nonthermal reactions result in a corresponding decrease in the reaction fluxes of the incipient recombination/association reactions. Therefore, an additional set of simulations were performed by applying corrections to the respective incipient recombination/association rate constants using the methodology demonstrated by Tao et al. [Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515-522]. Compared to the baseline case, the onset of spontaneous ignition in the end-gas region was observed to be delayed in the presence of non-thermal termolecular reactions. Concurrently, the developing detonation was observed to be significantly stronger. In contrast, applying corrections to the recombi-nation/association rate constants resulted in a completely different behavior. Specifically, detonation was observed to occur due to self acceleration of the primary flame in the absence of spontaneous ignition in the end-gas region. Sensitivity analysis was performed to quantify the effects of non-thermal reactions on the duration of heat release rate and thereby the mechanism of detonation formation. In addition, chemical explosive mode analysis (CEMA) was performed to identify the dominant species/reactions re-sponsible for the observed results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Effects of Hydrogen Bonding on Nuclear Data Development of Liquid Anhydrous HF

Anhydrous Hydrogen Fluoride (HF) at high temperatures and pressures is used to process and manufacture nuclear fuel. As HF is often used directly with uranium, correct neutron thermal scattering cross sections are crucial to criticality safety applications. Classical molecular dynamics (CMD) simulation of the flexible HF system was used to create the thermal scattering law (TSL) and cross sections. The initial 2-site model is used in LAMMPS, and it can not capture the H-bond. To correctly represent the H-bond effects, a second, 3-site model was constructed in GROMACS. The 3-site model handled H-bonds by connecting a massless charge to the molecule. Key model parameters were compared to experimental data to verify the approach and models. To get the normalized VACF, the model was compared using hydrogen and fluorine bond length, density, potential energy, and diffusion coefficient. The phonon DOSs for both models were derived from the normalized VACF. DOSs were used to estimate the TSL ( S ( α, β )) and neutron thermal scattering cross sections for hydrogen in HF. The TSLs were evaluated using the FLASSH code with the Schofield diffusion model. It was observed that the representation of the hydrogen bonding changes the TSL's diffusional contributions. This is represented in the low energy scattering cross section, where intermolecular binding effects shift the cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Examining experimental nitrogen-based emissions trends from ammonia/diesel and ammonia/hydrogen/diesel combustion

Ammonia has garnered interest as an alternative fuel for power sectors with heavy payload and distance requirements, such as shipping. In this study, ammonia was used in a dual-fuel compression-ignition combustion strategy to overcome some of its technical barriers, using a diesel pilot to ignite a premixed mixture of ammonia and air. Mixtures of premixed ammonia and hydrogen were also explored to evaluate whether the inclusion of hydrogen improves nitrogen-based emissions from the combustion process. A single-cylinder version of a Cummins ISB 6.7 L engine platform was used to experimentally study these effects at various global air/fuel ratios and hydrogen energy fractions. Hydrogen inclusion produced pronounced NOx and N2O emissions, while inclusion of trapped residuals increased N2O but reduced NOx. The two most recent and relevant mechanisms available in the literature—those from Xu and Zhang-Ren-Kokjohn—were used in a chemical kinetics analysis to examine the observed differences in the NOx trends from two dual-fuel ammonia/diesel datasets: (1) in which a portion of the premixed ammonia was substituted with hydrogen and (2) in which the effect of hot trapped residuals was evaluated with only ammonia/air premixed mixtures. The analysis with both mechanisms showed agreement with experimental trends; however, contributions from thermal vs. fuel-borne NOx pathways showed disagreement. A reaction pathway analysis showed that the HNO to NO pathway was the key to NO formation in the mixture.

Tyrewala, Daanish [ORNL] (ORCID:0000000208599324)↗
DOE OSTI2020

Thermal Dehydration of Aluminum (Oxy)hydroxides on Fuel Cladding Material - 20200

The aluminum cladding of research-reactor fuel undergoes general corrosion with resulting formation of adherent aluminum (oxy)hydroxide films during in-reactor and post-discharge exposure to water under various conditions and temperatures. These (oxy)hydroxides contain chemically-bound water that poses challenges for extended dry storage due to the risk of thermal or radiolytic decomposition releasing free water and/or hydrogen and oxygen gases. This study comprised laboratory experiments of thermal drying behavior of aluminum (oxy)hydroxides to identify approaches for reducing bound water on fuel cladding prior to sealed dry storage. Effective drying strategies for adherent (oxy)hydroxides on fuel cladding will improve the safety of dry storage by mitigating potential avenues for additional corrosion and/or generation of flammable gases inside the storage canister. This work is part of a broader investigation to address knowledge gaps and technical data needs for dry storage of aluminum-clad spent nuclear fuel (ASNF), which included investigation of (oxy)hydroxide formation on aluminum alloy substrates immersed in water, characterization of service-grown films from ASNF, and radiolytic yield of hydrogen from (oxy)hydroxide powders and films. The current work comprises experimental thermal dehydration of aluminum trihydroxides (bayerite and gibbsite) characteristic of low-temperature (<80 deg. C) corrosion in water and aluminum oxyhydroxide (boehmite) characteristic of high temperature (>80 deg. C) corrosion in water. First, commercially produced (oxy)hydroxide powders (boehmite and gibbsite) were tested via thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The effort aimed to identify or confirm key temperature ranges/thresholds for the thermal decomposition reactions, as well as impacts of ramp rate and hold times, for drying of isolated, high-surface-area (oxy)hydroxides. The information gleaned from powder tests was used to guide subsequent drying tests on adherent (oxy)hydroxide films grown on aluminum alloy substrates. TGA was used to analyze small samples of the aluminum coupons with adherent (oxy)hydroxide films. Specimens were characterized both pre- and post-drying using X-ray diffraction (XRD) to determine the film composition and scanning electron microscopy (SEM) to determine its morphology. Drying of adherent (oxy)hydroxide films was anticipated to pose additional complications relative to drying of (oxy)hydroxide powders. Anticipated challenges include achieving sufficient drying of the (oxy)hydroxide at low-enough temperature to avoid melting or other undesirable phase changes in the aluminum substrate and overcoming transport limitations of water through the thickness of a dense film or through a tortuous pore structure to reach the outer surface of the film. Inn addition, dehydration of (oxy)hydroxides significantly changes the film density, which may lead to substantial alterations in the morphology, including potential cracking and spalling of the film. TGA/DSC tests of gibbsite powders resulted in successful conversion to boehmite or alumina, depending on the maximum temperature reached. At low ramp rates (≤5 deg. C/min), the conversion to boehmite occurred around 300 deg. C (210-340 deg. C). XRD confirmed that boehmite was the only phase detected after tests reaching 450 deg. C. The transition to alumina occurred around 510 deg. C (470-550 deg. C), with XRD detecting only alumina after tests reaching at least 600 deg. C. Boehmite powders dehydrated to alumina at about 400 deg. C (330-460 deg. C) for coarse (77-μm particle diameter) powder and about 490 deg. C (420-520 deg. C) for fine (0.7-μm particle diameter) powder. For all powders tested, the maximum percent mass loss after drying to high temperature slightly exceeded the theoretical mass loss for complete dehydration of the stoichiometric (oxy)hydroxide to alumina, which is likely attributable to physisorbed water in the powder. Drying of a thick (∼8.6 μm), predominantly bayerite adherent film displayed a dramatic change in film morphology, with the initially continuous trihydroxide film cracking into sections on the order of 50 μm square and partially delaminating. The outermost layer of the film completely faked of in some regions. The layer exposed under the spalled oxide also displayed prominent cracking, with spacing on the order of 10 μm, but this surface layer appeared to remain completely adhered to the aluminum substrate. TGA showed mass losses per unit surface area up to ∼1.0 mg/cm{sup 2}. XRD characterization of the remaining oxide was inconclusive, with no crystalline phases detected. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Technical Program Plan for INL Advanced Reactor Technologies Advanced Gas Reactor Fuel Development and Qualification Program

High-temperature gas cooled reactors (HTGRs) are graphite moderated nuclear reactors cooled with helium. Their high outlet temperatures and thermal energy conversion efficiency enable efficient and cost effective integration with non electricity generating applications. These applications include process heat and hydrogen production for petrochemical and other industrial processes that require operating temperatures between 300 and 900°C. HTGRs will supplement the use of premium fossil fuels such as oil and natural gas, improve overall energy security in the United States by reducing dependence on foreign fuels, and reduce carbon dioxide (CO2)/greenhouse gas emissions. The HTGR design uses helium as a coolant, graphite as a neutron moderator, and ceramic particle fuel. Helium is chemically inert and neutronically transparent. The graphite core slows down the neutrons, retains its strength at high temperatures, provides structural stability, and acts as a substantial heat sink during transient conditions. The ceramic particle fuel is extremely robust and retains the radioactive by products of the fission reaction within the coated particle under normal and off normal conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Technical Program Plan for INL Advanced Reactor Technologies Advanced Gas Reactor Fuel Development and Qualification Program

High-temperature gas cooled reactors (HTGRs) are graphite moderated nuclear reactors cooled with helium. Their high outlet temperatures and thermal energy conversion efficiency enable efficient and cost effective integration with non electricity generating applications. These applications include process heat and hydrogen production for petrochemical and other industrial processes that require operating temperatures between 300 and 900°C. HTGRs will supplement the use of premium fossil fuels such as oil and natural gas, improve overall energy security in the United States by reducing dependence on foreign fuels, and reduce carbon dioxide (CO2)/greenhouse gas emissions. The HTGR design uses helium as a coolant, graphite as a neutron moderator, and ceramic particle fuel. Helium is chemically inert and neutronically transparent. The graphite core slows down the neutrons, retains its strength at high temperatures, provides structural stability, and acts as a substantial heat sink during transient conditions. The ceramic particle fuel is extremely robust and retains the radioactive by products of the fission reaction within the coated particle under normal and off normal conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Technical Program Plan for INL Advanced Reactor Technologies Advanced Gas Reactor Fuel Development and Qualification Program

High-temperature gas cooled reactors (HTGRs) are graphite moderated nuclear reactors cooled with helium. Their high outlet temperatures and thermal energy conversion efficiency enable efficient and cost effective integration with non electricity generating applications. These applications include process heat and hydrogen production for petrochemical and other industrial processes that require operating temperatures between 300 and 900°C. HTGRs will supplement the use of premium fossil fuels such as oil and natural gas, improve overall energy security in the United States by reducing dependence on foreign fuels, and reduce carbon dioxide (CO2)/greenhouse gas emissions. The HTGR design uses helium as a coolant, graphite as a neutron moderator, and ceramic particle fuel. Helium is chemically inert and neutronically transparent. The graphite core slows down the neutrons, retains its strength at high temperatures, provides structural stability, and acts as a substantial heat sink during transient conditions. The ceramic particle fuel is extremely robust and retains the radioactive by products of the fission reaction within the coated particle under normal and off normal conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Thermal analysis of combustion synthesis of FeAlxOy catalysts for dehydrogenation of fossil fuels

The growing demand for hydrogen as a clean energy carrier highlights the need for its alternative production method with reduced CO₂ emissions. Microwave-assisted thermocatalytic dehydrogenation of fossil fuels offers a promising solution for clean hydrogen production, with FeAlxOy nanocomposites acting as efficient catalysts due to their thermal stability, catalytic activity, and microwave-absorption properties. FeAlxOy nanocomposites, fabricated by solution combustion synthesis (SCS), have shown good microwave-absorption and catalytic properties. However, the effects of synthesis parameters such as fuel type and Fe:Al molar ratio on the SCS process and properties of the final material are not well understood. The SCS process involves vaporization of water, thermal decomposition of the mixture components, and oxidation – reduction reactions. In the present work, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were utilized to study the SCS mechanism, with a focus on understanding decomposition processes. TGA provided insights into the thermal stability and mass loss profiles of the mixtures, while DSC quantified the heat release and identified reaction onset temperatures. Results demonstrated that the choice of fuel significantly influenced the thermal behavior and properties of FeAlxOy nanocomposites. Glycine-based mixtures exhibited superior thermal stability and complete decomposition in a single step with high heat release compared to citric acid-based mixtures, which required higher synthesis temperatures and experienced slower, two-step decomposition processes. These findings emphasize the effectiveness of glycine-fueled SCS in producing thermally stable and catalytically active FeAlxOy nanocomposites.

Martinez Espinoza, Laura Alejandra↗
DOE OSTI2021

Product Characteristics and Synergy Study on Supercritical Methanol Liquefaction of Lignocellulosic Biomass and Plastic

Bio-oil originating from lignocellulosic biomass (LCB) is a potential next-generation fuel because of its abundant, renewable, and sustainable resources compared to other types. However, these bio-oils are typically of low quality compared to petroleum-derived oils due to their low calorific value, high acidity, and oxygen content. This work intends to provide a feasible method for producing hydrocarbon-rich oils by supercritical methanol (scMeOH) coliquefaction of LCB and plastic waste. Both rice straw (RS) and linear low-density polyethylene (LLDPE) are coliquefied under 300 °C for 60 min in scMeOH at various RS/LLDPE mass ratios of 2:1, 1:1, and 1:2. Positive effects were found in terms of oil yield and fuel quality, such as higher hydrocarbons content and calorific value. The oil yield increased from 26.72 to 30.07 wt % with LLDPE addition of 67%. Around 79.15–92.24% of the oil was hydrocarbons, phenols, ketones, and diverse functional group compounds. The complex compounds led to various degrees of the synergetic effect on oil chemical compositions. Among various RS/LLDPE ratios in this work, RS/LLDPE of 1:2 was supposed to be an optimal ratio for hydrocarbon-rich fuel production because it presented the highest oil yield of 30.07 wt % and quality-high oil with 71.42% hydrocarbons. In addition, scMeOH coliquefaction of LCB and plastic waste shows a synergetic effect on the improvement of carbon and hydrogen contents in solid products. These results indicate that scMeOH coliquefaction of LCB with plastic is a feasible and promising means to improve fuel quality and also to realize the thermal recycling of plastic wastes.

09 BIOMASS FUELS↗
DOE OSTI2021

Effects of Hydrogen Redistribution at High Temperatures in Yttrium Hydride Moderator Material

We report advanced materials development, manufacturing, and modeling capabilities for innovative reactor designs support nuclear security and mission-focused science through enhanced technology for safer and more efficient and secure production of nuclear energy. The high temperature moderator material yttrium hydride poses a significant enhancement in small reactor design by thermalizing (slowing down) neutrons and decreasing the required fuel mass for a system. The research presented here supports understanding hydrogen distribution in yttrium hydride through: (1) the development of neutron-based hydrogen imaging and crystallographic characterization that allows us to understand fundamental diffraction behaviors and to observe changes in hydrogen distribution as a function of temperature and (2) subsequent neutron multiplication (reactivity) effects of changes in hydrogen distribution using measurement-based cross sections in a sample microreactor design. The main conclusions from the work are that: (1) hydrogen does not redistribute significantly below temperatures of 800°C in yttrium hydride and (2) hydrogen redistribution affects the reactivity slightly but not significantly.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) Version 5.0 Technical Reference Manual

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, natural gas, and autogas systems. HyRAM+ is designed to facilitate the use of state-of-the-art models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ integrates deterministic and probabilistic models for quantifying leak sizes and rates, predicting physical effects, characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impacts on people. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards, and to provide developed models in a publicly-accessible toolkit usable by all stakeholders. This document provides a description of the methodology and models contained in HyRAM+ version 5.0. The most significant change for HyRAM+ version 5.0 from HyRAM+ version 4.1 is the ability to model blends of different fuels. HyRAM+ was previously only suitable for use with hydrogen, methane, or propane, with users having the ability to use methane as a proxy for natural gas and propane as a proxy for autogas/liquefied petroleum gas. In version 5.0, real natural gas or autogas compositions can be modeled as the fuel, or even blends of natural gas with hydrogen. These blends can be used in the standalone physics models, but not yet in the quantitative risk assessment mode of HyRAM+.

03 NATURAL GAS↗
DOE OSTI2026

Modeling Radiolysis and Chemical Reactions during Dry Storage of Aluminum-clad Spent Nuclear Fuel

After aluminum-clad spent nuclear fuel (ASNF) is removed from the reactor, it is initially stored in spent fuel pools, which are specially designed water-filled basins that provide temporary cooling to reduce the temperature of the fuel assemblies and provide radiation shielding. ASNF continues to generate heat due to the radioactive decay of elements within the fuel, which persists for many years post-shutdown as the residual radioactive products decay into more stable elements. During the wet storage period, an oxyhydroxide layer composed of boehmite/bayerite forms on the surfaces of the aluminum cladding from exposure to water in the pools. Road-ready packaging for long-term disposition of the ASNF involves dry storage in helium backfilled DOE standard canisters (DSCs). When the ASNF is removed from water storage and dried, most of the water is removed, but some physisorbed and chemisorbed water remains in the oxyhydroxide layers. This residual water can produce hydrogen when exposed to radiation from the ASNF during dry storage. Predicting hydrogen accumulation over time in the DSCs is critical for long-term storage considerations. Previous modeling efforts have developed coupled computational fluid dynamics (CFD)-chemical models to simulate temperature, pressure, and gas phase concentrations within the DSCs. These models use the thermal field predicted by CFD as input to a radiolysis model for the gas phase and the surface oxyhydroxide layer chemistry. Given the long storage period of the DSCs and the impracticality of long-term experiments, a simulation-based approach is necessary to assess chemical evolution within the canisters. This study advances the development of a modeling framework designed to simulate the chemical evolution of spent fuel canisters. Both thermal and radiation-driven reactions are considered, with radiation kinetics quantified using G-values. Sensitivity analysis identifies key parameters influencing species composition. Reaction pathway diagrams offer insight into dominant species formation routes, enabling more effective comparisons between model predictions and experimental observations, particularly regarding the production of hydrogen. Results show that the model predicts significant hydrogen gas production with minimal oxygen generation, primarily due to hydrogen formation via boehmite pathways. These findings underscore the importance of accurately characterizing surface-bound species and radiolysis kinetics. A deeper understanding of these mechanisms is critical for evaluating the long-term safety of nuclear waste storage.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗
DOE OSTI2023

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) Version 5.1 Technical Reference Manual

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, natural gas, and autogas systems. HyRAM+ is designed to facilitate the use of state-of-the-art models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ integrates deterministic and probabilistic models for quantifying leak sizes and rates, predicting physical effects, characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impacts on people. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards, and to provide developed models in a publicly-accessible toolkit usable by all stakeholders. This document provides a description of the methodology and models contained in HyRAM+ version 5.1. The most significant changes for HyRAM+ version 5.1 from HyRAM+ version 5.0 are updated default leak frequency values for propane, new default component counts for different fuel types, and an improved fuel specification view in the graphical user interface.

02 PETROLEUM↗
DOE OSTI2024

Synergistic Thermo-Microbial-Electrochemical (T-MEC) Approach for Drop-In Fuel Production from Wet Waste

This project successfully developed and demonstrated the synergistic thermo-microbial-electrochemical (T-MEC) process, converting food waste into sustainable biofuels while achieving self-sustaining wastewater treatment and hydrogen production. By integrating hydrothermal liquefaction (HTL) and microbial electrolysis cells (MECs), the project advanced waste-to-fuel technology and expanded the understanding of sustainable waste valorization. It established a scalable framework for achieving high carbon efficiency, effective pollutant removal, and energy recovery, showcasing the potential of combining biological, thermal, and electrochemical systems to optimize resource recovery and reduce environmental impacts. The project demonstrated the technical effectiveness of the T-MEC process, achieving over 50% improvement in carbon efficiency and reducing waste processing costs by more than 25% compared to anaerobic digestion (AD). The HTL pilot reactor processed food waste at 90 kg/h, producing up to 200 L/day of biocrude oil with high conversion efficiency. A critical desalting step in pretreatment prevented catalyst fouling, enabling efficient hydrotreating with 100% deoxygenation and denitrogenation and sulfur reduction to <15 ppm. This positioned the kerosene fraction as a strong candidate for sustainable aviation fuel (SAF). The MECs achieved rapid startup, 86.4% COD removal, and hydrogen production rates of 1.8 L H 2 /L cat /day, among the highest recorded for pilot-scale systems. The integrated process achieved 65% carbon efficiency to biocrude and 58% to finished fuels, outperforming AD's 41% and 33% efficiencies for biogas and natural gas vehicle fuels. System analysis highlighted economic potential, with minimum fuel selling prices (MFSP) decreasing from $\$$25/GGE at 5 tpd to $\$$10/GGE at 500 tpd due to economies of scale. Future work will focus on reducing MEC material and membrane costs, enhancing performance through higher current densities, and creating tailored operational strategies for diverse feedstocks. Optimization of the integrated system will improve scalability and feasibility, positioning the T-MEC process as a competitive solution for converting wet waste into sustainable fuels and clean water. Beyond its technical and economic achievements, the project offers significant public benefits. The T-MEC process provides a sustainable alternative to landfilling and incineration, reducing greenhouse gas emissions and conserving resources. Converting waste into SAF and renewable fuels supports decarbonization in the transportation sector, advancing energy independence and reducing reliance on fossil fuels. Additionally, the process minimizes environmental pollutants, transforming them into valuable products like hydrogen and fuels, contributing to a cleaner and more sustainable future.

09 BIOMASS FUELS↗
DOE OSTI2021

Atomic Layer Deposition with TiO2 for Enhanced Reactivity and Stability of Aromatic Hydrogenation Catalysts

Hydrogenation of aromatic molecules in fossil- and bio-derived fuels is essential for decreasing emissions of harmful combustion products and addressing growing concerns around urban air pollution. In this work, we used atomic layer deposition to significantly enhance the hydrogenation performance of a conventional supported Pd catalyst by applying an ultrathin coating of TiO2 in a scalable powder coating process. The TiO2-coated catalyst showed substantial gains in the conversion of multiple aromatic molecules, including a 5-fold improvement in turnover frequency versus the uncoated catalyst in the hydrogenation of naphthalene. This activity enhancement was maintained upon scaling the coating synthesis process from 3 to 100 g. Based on the results from Xray photoelectron spectroscopy, X-ray absorption spectroscopy, and computational modeling, the activity enhancement was attributed to ensemble effects resulting from partial TiO2 coverage of the Pd surface rather than fundamental changes to the Pd electronic structure. Additional durability testing confirmed that the TiO2 coating improved the thermal and hydrothermal stability of the catalyst as well as tolerance toward sulfur impurities in the reactant stream. Using an economic model of an industrial deep hydrogenation process, we found that an increase in catalyst activity or lifetime of 2× would justify even a relatively high estimate for the cost of TiO2 atomic layer deposition coatings at scale

atomic layer↗