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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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26 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Electrochemical conversion of methane to ethylene, olefins, and paraffins using metal-supported solid oxide cells

Electrochemical oxidative coupling of methane (E-OCM) with Sr 2 Fe 1·5 Mo 0·5 O 6–δ (SFM) catalyst is demonstrated with metal-supported solid oxide cells (MS-SOC). SFM anode and Pr 6 O 11 cathode catalysts are loaded into a porous symmetric-architecture cell by infiltration and firing. The most effective chelating agent (citric acid/ethyl glycol) and optimal firing/reducing temperatures (850 °C/750 °C) for the SFM catalyst precursor solution are selected and confirmed by cell testing. Operating temperature, cell voltage, and oxygen concentration at the cathode greatly affect the methane conversion rate and product selectivity by controlling the oxygen ion flow. CH 4 conversion of 85.8% is obtained, with C 2 H 4 , C 2 H 6 , and H 2 concentrations of 10.5%, 12.3%, and 25.6% at 800 °C, respectively, in the product exhaust gas. Reasonable stability of the current density and methane conversion is demonstrated during 200 h operation. Furthermore, this research demonstrates technical progress in catalyst and device development for the E-OCM reaction to synthesize valuable chemicals.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene

Here, W(NAr) 2 Et 2 (Ar = 2,6-diisopropylphenyl) reacts with two equivalents of R F9 OH (OR F9 = OC(CF 3 ) 3 ) to yield W(NAr)(ArNH 2 )(OR F9 )2(C 2 H 4 ) complexes and ethane. In solution W(NAr)(ArNH 2 )(OR F9 ) 2 (C 2 H 4 ) decomposes to give R F9 OH, ethane, W(NAr)(OR F9 ) 2 (C 2 H 4 ), and W(NAr)(NHAr′)(ArNH 2 )(OR F9 ), in which Ar′ contains a dehydrogenated isopropyl group (Ar′ = (2-i-Pr)(6-CMe=CH 2 )C 6 H 3 ) coordinated to the metal. On a similar time scale W(NAr)(OR F9 ) 2 (CHCH 3 ) complexes are formed from W(NAr)(OR F9 ) 2 (C 2 H 4 ) through an ArNH 2 -catalyzed rearrangement of the ethylene ligand. W(NAr)(NHAr′)(ArNH 2 )(OR F9 ) reacts with cyclohexene to form methylenecyclohexene and complexes that contain an NHAr″ ligand where Ar″ is a disubstituted (methyl/aryl) alkylidene, (2-i-Pr)(6-CMe)C 6 H 3 ) that is tethered to the metal through the amido nitrogen. In contrast to W(NAr)(ArNH 2 )(OR F9 ) 2 (C 2 H 4 ), analogous OR F6 (OCMe(CF 3 ) 2 ) and OR F3 (OCMe 2 (CF 3 )) complexes are relatively stable at 22 °C.

Maji, Milan [University of California, Riverside, ↗
DOE OSTI2023

On-Demand Reactivity Enhancement to Enable Advanced Low Temperature Natural Gas Internal Combustion Engines

This research project set the groundwork for higher technology readiness level implementations of catalytic OCM pretreatment for NG engines. Future work to use OCM as a fuel pretreatment strategy for NG engines should consider catalyst durability and performance over a higher working temp range. Work should also develop robust and practical reactors that can be efficiently thermally integrated with a NG engine.

03 NATURAL GAS↗
DOE OSTI2021

Methods and systems for performing chemical separations

The present disclosure provides a method for generating higher hydrocarbon(s) from a stream comprising compounds with two or more carbon atoms (C 2+ ), comprising introducing methane and an oxidant (e.g., O 2 ) into an oxidative coupling of methane (OCM) reactor. The OCM reactor reacts the methane with the oxidant to generate a first product stream comprising the C 2+ compounds. The first product stream can then be directed to a separations unit that recovers at least a portion of the C 2+ compounds from the first product stream to yield a second product stream comprising the at least the portion of the C 2+ compounds.

Jonnavittula, Divya↗
DOE OSTI2021

Separation methods and systems for oxidative coupling of methane

The present disclosure provides a method for generating higher hydrocarbon(s) from a stream comprising compounds with two or more carbon atoms (C2+), comprising introducing methane and an oxidant (e.g., O2) into an oxidative coupling of methane (OCM) reactor. The OCM reactor reacts the methane with the oxidant to generate a first product stream comprising the C2+ compounds. The first product stream can then be directed to a separations unit that recovers at least a portion of the C2+ compounds from the first product stream to yield a second product stream comprising the at least the portion of the C2+ compounds.

Duggal, Suchia↗
DOE OSTI2025

Microwave-Driven Nonoxidative and Selective Conversion of Methane to Ethylene over Mn-Based Catalysts

Recent advancements in microwave-driven nonoxidative catalytic synthesis of C 2 H 4 from CH 4 coupling offer a promising, energy-efficient, and eco-friendly alternative to conventional methods, where selective heating under microwave irradiation enables comparable conversions at substantially lower bulk temperatures and shorter reaction times. This study explores the performance of an MnO X -based catalyst supported on CeO 2 and HY zeolite (silica-toalumina ratio = 5.1) for the nonoxidative coupling of CH 4 (NOCM) under microwave irradiation. Inspired by the well-established efficacy of MnO X catalyst in oxidative CH 4 coupling (OCM), their application in NOCM has also shown significant performance. The catalytic system achieved 15% CH 4 conversion and 99% selectivity toward C 2 hydrocarbons and maintained 64% selectivity toward C 2 H 4 surpassing the yields reported in the literature even at higher temperatures (700−1000 °C). Catalyst performance was correlated with measurements by in situ Raman spectroscopy, and additional characterizations were performed using H 2 −temperature programmed reduction , NH 3 −temperature programmed desorption, and BET surface area analysis to understand structural changes during the reactions. These findings suggested that Mn functions as active sites for CH 4 activation in nonoxidative environments while also promoting efficient C−C coupling under microwave irradiation.

Catalysts↗
DOE OSTI2026

Bayesian Optimization of Catalysis with In-Context Learning

Large language models (LLMs) can perform accurate classification with zero or few examples through in-context learning (ICL), allowing the model to observe query-relevant examples at inference time and eliminating the need for additional weight updates to generalize beyond its original training data. We extend this capability to regression with uncertainty estimation using frozen LLMs (e.g., GPT-4o, Gemini), enabling Bayesian optimization (BO) in natural language without explicit model training or feature engineering. We apply this to materials discovery by representing materials as synthesis and testing procedures for use in natural language prompts. This Bayesian, design-first approach prioritizes optimization toward target material properties before detailed characterization, in contrast to conventional experimental workflows that often emphasize characterization of suboptimal materials. On benchmarks like aqueous solubility and oxidative coupling of methane (OCM), BO-ICL matches or outperforms Gaussian processes. In live experiments on the reverse water–gas shift (RWGS) reaction, BO-ICL identifies multimetallic catalysts that approach equilibrium CO yield within 6 and 10 iterations from a pool of 3,700 and 360,000 candidates, respectively. Our method redefines materials representation and accelerates discovery, with broad applications across catalysis, materials science, and AI.

Calibration↗
DOE OSTI2023

Enhanced Modeling of GHG Emissions and Mitigation in NEMS Component Design Report

The Office of Fossil Energy and Carbon Management (FECM), together with OnLocation, has developed a custom version of the National Energy Modeling System (NEMS), “FECM-NEMS”, that includes additional representation of energy- and industry-sector GHG emissions and mitigation options beyond those represented in the U.S. EIA's NEMS. Compared with GHG emissions published by the EPA in their Inventory of U.S. GHG Emissions and Sinks: 1990-2021, FECM-NEMS endogenously represents 81% of gross U.S. GHG emissions; however, the remaining 19%, as well as LULUCF-sector emissions and removals, are still required to properly model net-zero GHG scenarios, which requires an accounting of all GHGs. Considering recent technological advances to mitigate CO 2 and non-CO 2 emissions, the Office of Carbon Management (OCM) within FECM had tasked OnLocation with creating this component design report (CDR) to address the gap in GHG representation. This report describes how FECM-NEMS could incorporate missing GHG emissions (including LULUCF-sector emissions and removals) and engineered processes for GHG mitigation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗