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DOE OSTI2016

Interface magnetization transition via minority spin injection

The interface magnetization of n-type BaTiO 3 /La 0.7 Sr 0.3 MnO 3 heterojunction is selectively probed by magnetic second-harmonic generation at 80 K. Additionally, the injection of minority spins at the interface causes a sudden, reversible transition of the spin alignment of interfacial Mn ions from ferromagnetic to antiferromagnetic exchange coupled, while the bulk magnetization remains unchanged. We attribute the emergent interfacial antiferromagnetic interactions to weakening of the double-exchange mechanism caused by the strong Hund’s rule coupling between injected minority spins and local magnetic moments. Lastly, the effect is robust and may serve as a viable route for electronic and spintronic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Solution-phase p-type doping of highly enriched semiconducting single-walled carbon nanotubes for thermoelectric thin films

Single-walled carbon nanotubes (SWCNTs) are attractive materials for next-generation energy-harvesting technologies, including thermoelectric generators, due to their tunable opto-electronic properties and high charge carrier mobilities. Controlling the Fermi level within these unique 1D nanomaterials is often afforded by charge transfer interactions between SWCNTs and electron or hole accepting species. Conventional methods to dope SWCNT networks typically involve the diffusion of molecular redox dopant species into solid-state thin films, but solution-phase doping could potentially provide routes and/or benefits for charge carrier transport, scalability, and stability. Here, we develop a methodology for solution-phase doping of polymer-wrapped, highly enriched semiconducting SWCNTs using a p-type charge transfer dopant, F4TCNQ. This allows doped SWCNT inks to be cast into thin films without the need for additional post-deposition doping treatments. We demonstrate that the introduction of the dopant at varying stages of the SWCNT dispersion process impacts the ultimate thermoelectric performance and observe that the dopant alters the polymer selectivity for semiconducting vs metallic SWCNTs. In contrast to dense semiconducting polymer films, where solution-phase doping typically leads to disrupted morphologies and poorer TE performance than solid-state doping, thin films of solution-doped s-SWCNTs perform similarly to their solid-state doped counterparts. Interestingly, our results also suggest that solution-phase F4TCNQ doping leads to fully ionized and dimerized F4TCNQ anions in solid-state films that are not observed in films doped with F4TCNQ after deposition. Our results provide a framework for the application of solution-phase doping to a broad array of high-performance SWCNT-based thermoelectric materials and devices that may require high-throughput deposition techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Additive Manufacturing of Cryogenic Austenitic Steel JK2LB via Wire-Fed Directed Energy Deposition (DED) for Fusion Energy Applications

This study explores the feasibility of fabricating cryogenic austenitic steel JK2LB via both laser-based directed energy deposition (laser-DED) and arc-based directed energy deposition (arc-DED) additive manufacturing processes for potential application in fusion reactors. JK2LB, a low-nickel, high-manganese stainless steel developed for ITER, offers excellent cryogenic toughness, radiation resistance, and decay-to-clearance characteristics. Although JK2LB was originally designed to endure cyclic stresses at cryogenic temperatures in tokamaks, its low-temperature mechanical integrity and radiation tolerance also make it a promising candidate for structural components, such as the coil case/support structure in nonplanar high-temperature superconducting magnet assemblies in stellarators. Directed energy deposition (DED) additive manufacturing was selected for this study due to its capability to fabricate large structures with complex geometries. Here, to address the long lead time and high cost associated with acquiring conventional JK2LB solid wire, JK2LB powder-cored wire was developed as the feedstock material. Testing blocks were then fabricated using both wire-fed laser-DED and arc-DED processes. Microstructural and compositional analyses revealed that both DED approaches yield fully austenitic phase and columnar grain structures. Mechanical testing at room temperature revealed that both DED routes achieved yield strength and elongation comparable to those of conventionally processed JK2LB via vacuum melting, electroslag remelting, extrusion, and drawing, though ultimate tensile strength was reduced due to Mn loss and large columnar grains. As a study mainly focusing on the additive manufacturing process, this work demonstrates the potential of additive manufacturing for fusion energy applications and provides a basis for optimization and future cryogenic mechanical evaluation.

Cryogenic steel↗

DOE OSTI2017

Development of an ADC radiation tolerance characterization system for the upgrade of the ATLAS LAr calorimeter

ATLAS LAr calorimeter will undergo its Phase-I upgrade during the long shutdown (LS2) in 2018, and a new LAr Trigger Digitizer Board (LTDB) will be designed and installed. Several commercial-off-the-shelf (COTS) multi-channel high-speed ADCs have been selected as possible backups of the radiation tolerant ADC ASICs for the LTDB. Here, to evaluate the radiation tolerance of these backup commercial ADCs, we developed an ADC radiation tolerance characterization system, which includes the ADC boards, data acquisition (DAQ) board, signal generator, external power supplies and a host computer. The ADC board is custom designed for different ADCs, with ADC drivers and clock distribution circuits integrated on board. The Xilinx ZC706 FPGA development board is used as a DAQ board. The data from the ADC are routed to the FPGA through the FMC (FPGA Mezzanine Card) connector, de-serialized and monitored by the FPGA, and then transmitted to the host computer through the Gigabit Ethernet. A software program has been developed with Python, and all the commands are sent to the DAQ board through Gigabit Ethernet by this program. Two ADC boards have been designed for the ADC, ADS52J90 from Texas Instruments and AD9249 from Analog Devices respectively. TID tests for both ADCs have been performed at BNL, and an SEE test for the ADS52J90 has been performed at Massachusetts General Hospital (MGH). Test results have been analyzed and presented. The test results demonstrate that this test system is very versatile, and works well for the radiation tolerance characterization of commercial multi-channel high-speed ADCs for the upgrade of the ATLAS LAr calorimeter. It is applicable to other collider physics experiments where radiation tolerance is required as well.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Direct propylene epoxidation via water activation over Pd-Pt electrocatalysts

Direct electrochemical propylene epoxidation by means of water-oxidation intermediates presents a sustainable alternative to existing routes that involve hazardous chlorine or peroxide reagents. Here, we report an oxidized palladium-platinum alloy catalyst (PdPtO x /C), which reaches a Faradaic efficiency of 66 ± 5% toward propylene epoxidation at 50 milliamperes per square centimeter at ambient temperature and pressure. Embedding platinum into the palladium oxide crystal structure stabilized oxidized platinum species, resulting in improved catalyst performance. The reaction kinetics suggest that epoxidation on PdPtO x /C proceeds through electrophilic attack by metal-bound peroxo intermediates. This work demonstrates an effective strategy for selective electrochemical oxygen-atom transfer from water, without mediators, for diverse oxygenation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Synthesis and Exploratory Catalysis of 3d Metals: Atom and Group-Transfer Reactions and the Activation and Functionalization of Small Molecules Including Greenhouse Gases

Determining ways to convert natural gas, with zero emissions, and to more value-added materials such as olefins is one of the main goals in my research group. Over this funding period, we explored the chemistry of early-transition metals with metal-nitrogen multiple bonds, specifically titanium and zirconium nitrides, and explored their redox properties, basicity and reactivity with small molecules including greenhouses gases such as carbon dioxide. Some of these work serve as inspiration for the chemistry of important materials such as uranium nitride along with its unprecedented basicity and ability to activate C-H bonds. Using robust chelating templates we also examined rare examples of trivalent group 4 transition metal ions, and studied these spectroscopically. Using early transition metal ions we also explored synthetic routes to new phosphide based products using the phosphaethynolate salt. In addition, we also explored the chemistry of ferrous systems, and redox active ligand that can allow us to reversibly break and make C-S as well as N-N bonds, activate dinitrogen forming unusual MNNM topologies. Our final component describes how we activate methane and dehydrocouple if with a carbene source to form ethylene. Using this information, we also discovered a simple to make iridium catalyst that activate and functionalize methane with 9:1 selectivity for mono-functionalization. We have established a pathway that leads to poisoning of the catalyst and have found optimal conditions for higher selectivity and with over 170 Turnovers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Hydrogen‐Bonded Polyimide/Metal‐Organic Framework Hybrid Membranes for Ultrafast Separations of Multiple Gas Pairs

Abstract Membranes have seen a growing role in mitigating the extensive energy used for gas separations. Further expanding their effectiveness in reducing the energy penalty requires a fast separation process via a facile technique readily integrated with industrial membrane formation platforms, which has remained a challenge. Here, an ultrapermeable polyimide/metal‐organic framework (MOF) hybrid membrane is reported, enabling ultrafast gas separations for multiple applications (e.g., CO 2 capture and hydrogen regeneration) while offering synthetic enhanced compatibility with the current membrane manufacturing processes. The membranes demonstrate a CO 2 and H 2 permeability of 2494 and 2932 Barrers, respectively, with a CO 2 /CH 4 , H 2 /CH 4 , and H 2 /N 2 selectivity of 29.3, 34.4, and 23.8, respectively, considerably surpassing the current Robeson permeability–selectivity upper bounds. At a MOF loading of 55 wt%, the membranes display a record‐high 16‐fold enhancement of H 2 permeability comparing with the neat polymer. With mild membrane processing conditions (e.g., a heating temperature less than 80 °C) and a performance continuously exceeding Robeson upper bounds for over 5300 h, the membranes exhibit enhanced compatibility with state‐of‐the‐art membrane manufacturing processes. This performance results from intimate interactions between the polymer and MOFs via extensive, direct hydrogen bonding. This design approach offers a new route to ultraproductive membrane materials for energy‐efficient gas separations.

Ma, Canghai↗

DOE OSTI2026

Trigonometric continuous-variable gates and hybrid quantum simulations of the sine-Gordon model

Hybrid qubit-qumode quantum computing platforms provide a natural setting for simulating interacting bosonic quantum field theories. However, existing continuous-variable gate constructions rely predominantly on polynomial functions of canonical quadratures. In this work, we introduce a complementary universality paradigm based on trigonometric continuous-variable gates, which enable a Fourier-like representation of bosonic operators and are particularly well suited for periodic and non-perturbative interactions. We present an ancilla-based framework for implementing trigonometric gates with arguments given by arbitrary Hermitian functions of qumode quadratures. The protocol yields unitary gates deterministically, and non-unitary gates through probabilistic post-selection. As a concrete application, we develop a hybrid qubit-qumode quantum simulation of the lattice sine-Gordon model. Using these gates, we prepare ground states via quantum imaginary-time evolution, simulate real-time dynamics, compute time-dependent vertex two-point correlation functions, and extract quantum kink profiles under topological boundary conditions. Our results demonstrate that trigonometric continuous-variable gates provide a physically natural framework for simulating interacting field theories on near-term hybrid quantum hardware, while establishing a parallel route to universality beyond polynomial gate constructions. We expect that the trigonometric gates introduced here to find broader applications, including quantum simulations of condensed matter systems, quantum chemistry, and biological models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Building Durable Multimetallic Electrocatalysts from Intermetallic Seeds

When combined with earth-abundant metals, Pt-based alloy nanoparticles (NPs) can be cost-effective electrocatalysts. However, these NPs can experience leaching of non-noble-metal components under harsh electrocatalytic conditions. In this work, the Skrabalak group has demonstrated a novel NP construct in which Pt-based random alloy surfaces are stabilized against non-noble-metal leaching by their deposition onto intermetallic seeds. These core@shell NPs are highly durable electrocatalysts, with the ability to tune catalytic performance by the core@shell architecture, surface alloy composition, and NP shape. This versatility was demonstrated in a model system in which random alloy (ra-) PtM surfaces were deposited onto ordered intermetallic (i-) PdCu seeds using seed-mediated co-reduction (SMCR). In the initial demonstration, ra-PtCu shells were deposited on i-PdCu seeds, with these core@shell NPs exhibiting higher specific and mass activities for the oxygen reduction reaction (ORR) when compared to similarly sized ra-PtCu NPs. These NPs also showed outstanding durability, maintaining ~85% in specific activity after 5000 cycles. Characterization of the NPs after use revealed minimal loss of Cu. The activity enhancement was attributed to the strained surface that arises from the lattice mismatch between the intermetallic core and random alloy surface. The outstanding durability was attributed to the ordered structure of the intermetallic core. The origin of this durability enhancement was investigated by classical molecular dynamics simulations, where Pt atoms were found to have a lower potential energy when deposited on an intermetallic core than when deposited on a random alloy core. Also, ordering of Cu atoms at the core@shell interface appears to enhance the overall binding between the core and the shell materials. Inspired by this initial demonstration, SMCR has been used to achieve shells of different random alloy compositions, PtM (M = Ni, Co, Cu, or Fe). This advance is significant because ligand effects vary as a function of PtM identity and Pt/M ratio. These features also influence the degree of surface strain imparted from the lattice mismatch between the core and shell materials. Like the initial demonstration, standout features of these core@shell NPs were high durability and resistance to non-noble metal leaching. Moving forward, efforts have been directed toward integrating shape-control to this core@shell NP construct. This integration is motivated by the shape-dependent catalytic performance of NPs derived from the selective expression of specific facets. Considering the initial i-PdCu@ra-PtCu system, NPs with a cubic shape have been achieved by judicious selection of capping ligands during SMCR. Evaluation of these NPs as catalysts for the electrooxidation of formic acid found that the nanocubic shape enhances catalytic performance compared to similar core@shell NPs with a spherical morphology. We envision that SMCR can be applied to other NP systems to achieve highly durable catalysts as the syntheses of monodisperse and shape-controlled intermetallic seeds are advanced. This Account highlights the role of intermetallic cores in providing more durable electrocatalysts. More broadly, the versatility of SMCR is highlighted as a route to integrate architecture, alloy surfaces, and shape within one NP system, and how this achievement is inspiring new high-performance and robust catalysts is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Can a simple topological-constraints-based model predict the initial dissolution rate of borosilicate and aluminosilicate glasses?

Tuning glass composition to obtain targeted properties generally relies on empirical approaches. However, a deep understanding of the physical and chemical mechanisms linking glass composition to its structure and properties would enable developing reliable predictive models. Indeed, although empirical models are usually able to interpolate composition–property relationships within a given compositional envelope, they often fail at extrapolating predictions far from their training domain. Here, as an alternative route to empirical models, we show that a structural descriptor based on the number of topological constraints per atom can be used to predict the initial dissolution rate of aluminosilicate and borosilicate glasses after being parameterized on different families of glasses (specific series of borosilicate glasses). Sixteen glasses belonging to these families were studied and their initial dissolution rates were determined at 90 °C and pH 90 °C = 9, covering rates spanning over 5 orders of magnitude. The model based on topological constraints was trained based on seven select borosilicate glasses (R 2 = 0.997) and used to predict the dissolution rate of nine additional borosilicate and aluminosilicate glasses. We show that, provided that corrections are made for high alkali content glasses that dissolve incongruently (preferential release of Na), the model gives reasonable predictions, even far from its training domain.

36 MATERIALS SCIENCE↗

NASA NTRS1980

Preliminary cryogenic performance of the Shuttle Infrared Telescope Facility

The Shuttle Infrared Telescope Facility (SIRTF) is a cryogenically cooled telescope in the one-meter aperture class designed for sensing in the infrared from 2-200 microns. This facility is designed to be flown many times on the Space Shuttle with varying instrument complements. All components of the SIRTF within the field of view of the optics are cryogenically cooled. The primary coolant is supercritical helium which is stored in an external tank and routed through the telescope - cooling the instruments first, then the optical components and finally the baffles. For detector cooling below 6K small reservoirs of superfluid helium (He II) are provided. The SIRTF cryogenic system is designed to automatically control the tank pressure and telescope flow rates during prelaunch operations and flight as well as meet the Space Shuttle environmental and safety requirements. Temperatures maintained in the telescope are a function of instrument operation, design, energy dissipation, and telescope pointing angle. By control of the cryogen flow rate any selected instrument temperature can be maintained within fixed limits, and the critical secondary mirror can be maintained below 10K throughout a 14-day mission. Instrument thermal design is a critical factor in the maintenance of proper temperature differences in the experiment package. Design of a cryogenic telescope for space use presents many problems which do not exist in earth based systems. The limited opportunity for servicing, the restricted coolant supply, and the remote instrumentation and control all provide new considerations for the instrument and system designers.

Gier, H. L.↗

NASA NTRS2007

Vernal Crater, SW Arabia Terra: MSL Candidate with Extensively Layered Sediments, Possible Lake Deposits, and a Long History of Subsurface Ice

Vernal Crater is a Mars Science Laboratory (MSL) landing site candidate providing relatively easy access to extensively layered sediments as well as potential lake deposits. Sediments of Vernal Crater are 400-1200 m below those being investigated by Opportunity in Meridiani Planum, and as such would allow study of significantly older geologic units, if Vernal Crater were selected for MSL. The location of Vernal Crater in SW Arabia Terra provides exceptional scientific interest, as rampart craters and gamma-ray spectrometer (GRS) data from the region suggest a long history of ice/fluids in the subsurface. The potential value of this MSL candidate is further enhanced by reports of atmospheric methane over Arabia, as any insight into the source of that methane would significantly increase our understanding of Mars. Finally, should MSL survive beyond its prime mission, the gentle slope within Vernal Crater would provide a route out of the crater for study of the once ice/fluid-rich plains.

Oehler, Dorothy Z.↗

DOE OSTI2018

Achieving Atomic Dispersion of Highly Loaded Transition Metals in Small‐Pore Zeolite SSZ‐13: High‐Capacity and High‐Efficiency Low‐Temperature CO and Passive NO x Adsorbers

Abstract The majority of harmful atmospheric CO and NO x emissions are from vehicle exhausts. Although there has been success addressing NO x emissions at temperatures above 250 °C with selective catalytic reduction technology, emissions during vehicle cold start (when the temperature is below 150 °C), are a major challenge. Herein, we show we can completely eliminate both CO and NO x emissions simultaneously under realistic exhaust flow, using a highly loaded (2 wt %) atomically dispersed palladium in the extra‐framework positions of the small‐pore chabazite material as a CO and passive NO x adsorber. Until now, atomically dispersed highly loaded (>0.3 wt %) transition‐metal/SSZ‐13 materials have not been known. We devised a general, simple, and scalable route to prepare such materials for Pt II and Pd II . Through spectroscopy and materials testing we show that both CO and NO x can be simultaneously completely abated with 100 % efficiency by the formation of mixed carbonyl‐nitrosyl palladium complex in chabazite micropore.

Khivantsev, Konstantin↗

DOE OSTI2018

Achieving Atomic Dispersion of Highly Loaded Transition Metals in Small-Pore Zeolite SSZ-13: High-Capacity and High-Efficiency Low-Temperature CO and Passive NO x Adsorbers

Synthesis of small-pore zeolitic materials with realistic loadings of transition metals atomically dispersed in the micropores has been a formidable challenge. Herein, we demonstrate a new simple and scalable route to high Pd and Pt loadings (>1 wt%) atomically dispersed in the micropores of a small-pore zeolite, SSZ-13. Unlike all previous methods that require addition of expensive transition metal precursor complexes into the synthesis gel and produce low loading of atomically dispersed species, this method does not require any complicated synthetic proce-dures. We determine the factors that govern the stabilization of M(II) species in the micropores of SSZ-13. Using a combined spectroscopic and DFT approach, we offer a unifying explana-tion for the discrepancies existing in available M-zeolite litera-ture. Moreover, we highlight the difference between the behavior of Pt and Pd during synthesis, and demonstrate that ionically dispersed Pd/SSZ-13 shows superior performance as a new class of environmentally important passive NOx Adsorber (PNA) material under practically relevant conditions. It thus represents the 2nd known metal-small pore zeolite material that has immediate industrial application, and the only known met-al-small pore zeolite material in which metal is close to 100 % utilized. In addition to NO x , the material performs remarkably for CO removal during cold start as well due to the formation of a mixed carbonyl-nitrosyl complex Pd(II)(CO)(NO).

Khivantsev, Konstantin↗

DOE OSTI2021

A multi-technique approach to understanding delithiation damage in LiCoO2 thin films

Abstract We report on the delithiation of LiCoO 2 thin films using oxalic acid (C 2 H 2 O 4 ) with the goal of understanding the structural degradation of an insertion oxide associated with Li chemical extraction. Using a multi-technique approach that includes synchrotron radiation X-ray diffraction, scanning electron microscopy, micro Raman spectroscopy, photoelectron spectroscopy and conductive atomic force microscopy we reveal the balance between selective Li extraction and structural damage. We identify three different delithiation regimes, related to surface processes, bulk delithiation and damage generation. We find that only a fraction of the grains is affected by the delithiation process, which may create local inhomogeneities. However, the bulk delithiation regime is effective to delithiate the LCO film. All experimental evidence collected indicates that the delithiation process in this regime mimics the behavior of LCO upon electrochemical delithiation. We discard the formation of Co oxalate during the chemical extraction process. In conclusion, the chemical route to Li extraction provides additional opportunities to investigate delithiation while avoiding the complications associated with electrolyte breakdown and simplifying in-situ measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRSDate not supplied

An Analysis of Exploration Capability Gaps for Future Habitation Systems to Inform Risk Assessment and Development Priorities

Within NASA, exploration capability gaps are defined as the difference between the current state-of-the-art in capabilities and the anticipated needs of future human spaceflight architectures. As NASA and its partners’ capabilities for human exploration of deep space continue to mature, it is necessary to understand the capability gaps that require closure to support future habitation systems, such as the Lunar Surface Habitat (SH) and Mars Transit Habitat (TH) currently in concept development. This paper will identify high-priority capability gaps for exploration habitation and show potential options for gap closure through investment in technology, development, and testing. High-priority capability gaps are divided into the following general taxonomy areas: human health/life support/habitation systems, flight computing and avionics, power and energy storage, communications and navigation, thermal management systems, human exploration destination systems, autonomous systems, sensors and instruments, GNC (guidance, navigation, and control), robotic systems, ground and uncrewed surface systems, and materials/structures/mechanical systems/manufacturing. In the gap identification process, teams of discipline experts from across NASA reviewed the latest habitation architecture needs against current capabilities to understand where gaps may exist. The results of the assessment established a basis for the current state-of-the-art within each gap and identified the capability needs of the proposed exploration missions the gap links to. An assessment of how each test platform (e.g., Ground, International Space Station (ISS), Commercial Low Earth Orbit (LEO) Destinations, Gateway) may be leveraged to mature capabilities and potentially provide a route to gap closure will be discussed. The notional timeline for gap closure to support reference missions and impacts to overall schedule are also assessed where appropriate. Based on the capability gap analysis described above, the paper summarizes important technology maturation considerations for human exploration architectures, with a focus on the Mars TH. The previously published NASA habitation ground rules and assumptions document is used as the basis to classify gaps as enabling, enhancing, or “push” opportunities for a particular architecture. Stepwise technology maturation plans/considerations are presented for some selected critical gaps. Overall, the analysis in this paper is intended to help influence development priorities for habitation systems, where high-priority, critical gaps are those currently assessed as having a low probability of closure by the anticipated need date. Capability gap analysis also informs the risk register for exploration habitation systems and mitigation strategies to ensure readiness of key technologies to support future mission timelines. Linkage between capability gaps for Moon and Mars is noted, as closure of a gap at a Lunar destination may subsequently enable or enhance Mars TH architectures.

technology development↗

NASA NTRSDate not supplied

An Analysis of Exploration Capability Gaps for Future Habitation Systems to Inform Risk Assessment and Development Priorities

technology development↗

DOE OSTI2026

Advancing Ethanol-to-Jet cost Effectiveness via direct conversion to n -Butene-Rich olefins and Co-Product Valorization

Ethanol is a promising feedstock for sustainable aviation fuel production; however, conventional routes face significant energy and cost challenges, particularly due to the ethanol dehydration step to ethylene. Here, this study leverages breakthrough experimental data to perform comprehensive techno-economic and life-cycle assessments of an innovative ethanol-to-jet process. The process employs a single-step catalytic conversion, enabled by multifunctional Cu-ZrO 2 /SBA-16 catalyst, to directly upgrade ethanol into a mixed olefin stream rich in n-butene. The single-step conversion eliminates the costly ethanol dehydration step in the conventional process. High selectivity toward n-butene offers key advantages: it simplifies downstream oligomerization into jet-range hydrocarbons and enables the co-production of renewable n-butene alongside sustainable aviation fuel. The analysis estimates a minimum fuel selling price as low as $\$$2.50 per gallon, whether using corn ethanol or cellulosic ethanol from corn stover. Life cycle CO 2 equivalent emissions are projected to be as low as 10.6 g CO 2 eq/MJ sustainable aviation fuel, representing over 70% reduction compared to conventional petroleum-based jet fuel. This one-step ethanol upgrading approach not only facilitates SAF and n-butene co-production but also provides operational flexibility. The ability to tailor product outputs allows the ethanol-to-jet process to adapt to varying feedstocks, incentive programs, and market dynamics, ultimately enhancing the economic viability of sustainable aviation fuel production.

Xu, Yiling [Pacific Northwest National Laboratory ↗