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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Spin-selective photocatalysis and quantum transport using ab initio density-matrix dynamics

The overarching goal of this research program is to quantitatively predict out-of-equilibrium quantum dynamics and transport with electrons and spin degrees of freedom coupled to phonons, photons, defects and liquid environments, specifically targeting spin-selective chemistry. Spin polarized carriers, which can be generated at room temperature by circularly-polarized light, provide unique opportunities for creating new reaction pathways and increasing selectivity towards specific pathways. If realized, this can substantially increase the level of reaction control possible in the field of heterogeneous catalysis. Spin, a quantum mechanical entity without a classical counterpart, requires quantum dynamics. Capturing both coherent and incoherent dynamics and accurate correlation of spins, electrons and phonon environments are essential to quantitative description of generation, relaxation and transport, as well as chemical reaction of spin-polarized carriers in molecules and materials promising for spin-photocatalysis.

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

Opportunities to Expand Building Efficiency Programming at Community Colleges

According to the most recent U.S. Energy and Employment Report, more than 2.3 million workers in the United States are involved in activities that reduce energy usage in buildings. This workforce supports energy efficiency from the design of buildings and their systems through the manufacturing and trade of components and supplies involved in these systems to the installation, repair, and maintenance of these systems. Less than 10% of the workers in key building efficiency occupations have a bachelor’s or higher degree, compared to ~40% of the general workforce. Thus, the community college system is a key stakeholder in training and educating a large portion of the building efficiency workforce. Despite this, the literature review conducted for this report found almost no research focused on better understanding and supporting the role of community colleges as they train this workforce at scale. This report seeks to understand how and to what extent building efficiency and advanced building technology concepts are being addressed in community colleges as well as potential pathways for schools to consider to better prepare students to enter the building efficiency industry. The first section presents information from a literature review and data analysis to provide background on the building efficiency workforce, the types of building efficiency training and education available from community colleges, and the barriers and challenges that exist in the workforce. The second section offers a series of case studies that illustrate the various ways that building efficiency content can be addressed at community colleges. The final section provides an overview of the opportunities available to community colleges as well as considerations for schools that want to increase building efficiency programming.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

IL-10 Signaling Elicited by Nivolumab-Induced Activation of the $\mathrm{MAP}$ Kinase Pathway Does Not Fully Contribute to Nivolumab-Modulated Heterogeneous T Cell Responses

Immune checkpoint inhibitor (ICI) therapy has revolutionized anti-cancer treatment for many late-stage cancer patients. However, ICI therapy has thus far demonstrated limited efficacy for most patients, and it remains unclear why this is so. Interleukin 10 (IL-10) is a cytokine that has been recognized as a central player in cancer biology with its ability to inhibit anti-tumor T cell responses. Recent studies suggest that IL-10 might also exert some intrinsic anti-tumor T cell responses, and clinical studies using recombinant IL-10 alone or in combination with ICI are underway. This paradoxical effect of IL-10 and its underlying mechanisms impacting ICI-modulated T cell responses remain poorly understood. In this study, using an in vitro mixed lymphocyte reaction assay, we found that treatment with ICIs such as the anti-programmed cell death receptor-1 (PD-1) mAb nivolumab elicits a strong expression of IL-10. While neutralization of IL-10 signaling with an anti-IL-10 specific mAb significantly decreases the production of IFN-γ by T cells in a cohort of donor cells, the opposite effect was observed in other donor cells. Similarly, neutralization of IL-10 signaling significantly decreases the expression of T cell activation markers Ki67 and CD25, as well as the production of Granzyme B in a cohort of donor cells, whereas the opposite effect was observed in others. Furthermore, we found that nivolumab and IL-10 differentially modulate the signal transducer and activator of transcription 3 (STAT3) and AKT serine–threonine kinase pathways. Finally, we found that nivolumab activates the mitogen-activated protein kinase (MAPK) pathway, which in turn is responsible for the observed induction of IL-10 production by nivolumab. These findings provide new insights into the mechanisms underlying anti-PD-1-modulated T cell responses by IL-10, which could lead to the discovery of novel combination treatments that target IL-10 and immune checkpoint molecules.

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

The Role of Surface Hydroxyls in Dehydration and Dehydrogenation of Formic Acid on Fe 3 O 4 (001)

Understanding the role of surface structure and hydroxylation in catalytic reactions on metal oxide surfaces is important for developing a mechanistic insight into the complex interface processes. Here, we investigate the reactivity of formic acid on reconstructed Fe 3 O 4 (001) using a combination of X-ray photoelectron spectroscopy, infrared reflection absorption spectroscopy, temperature-programmed reaction spectroscopy, low energy electron diffraction, and electronic structure calculations. We find that formic acid initially dissociates at low temperatures (< 80 K) into bidentate formate and a hydroxyl up to an initial dosed coverage of two HCOOH per Fe 3 O 4 (001) unit cell. At higher temperatures (> 450 K), formate largely decomposes along the dehydration pathway, producing CO and H 2 O, with dehydrogenation to CO 2 being a minority side reaction. As a first step, water formation leads to surface oxygen extraction via the Mars-van Krevelen mechanism. Computational studies reveal formate embedded in oxygen vacancies as a key intermediate in the CO formation mechanism. CO formation proceeds via two reaction pathways with desorption that peaks at 530 K on the hydroxyl-rich surface and 560 K on the hydroxyl-deficient surface. Atomic hydrogen coadsorption experiments and ab initio calculations reveal that the presence of surface hydroxyls reduces the CO formation barrier. Furthermore, these results highlight the complex interactions between substrate and intermediate species occurring during reactions on metal oxide surfaces.

Adsorption↗
DOE OSTI2019

ECHO: an application for detection and analysis of oscillators identifies metabolic regulation on genome-wide circadian output

Abstract Motivation Time courses utilizing genome scale data are a common approach to identifying the biological pathways that are controlled by the circadian clock, an important regulator of organismal fitness. However, the methods used to detect circadian oscillations in these datasets are not able to accommodate changes in the amplitude of the oscillations over time, leading to an underestimation of the impact of the clock on biological systems. Results We have created a program to efficaciously identify oscillations in large-scale datasets, called the Extended Circadian Harmonic Oscillator application, or ECHO. ECHO utilizes an extended solution of the fixed amplitude oscillator that incorporates the amplitude change coefficient. Employing synthetic datasets, we determined that ECHO outperforms existing methods in detecting rhythms with decreasing oscillation amplitudes and in recovering phase shift. Rhythms with changing amplitudes identified from published biological datasets revealed distinct functions from those oscillations that were harmonic, suggesting purposeful biologic regulation to create this subtype of circadian rhythms. Availability and implementation ECHO’s full interface is available at https://github.com/delosh653/ECHO. An R package for this functionality, echo.find, can be downloaded at https://CRAN.R-project.org/package=echo.find. Supplementary information Supplementary data are available at Bioinformatics online.

De los Santos, Hannah↗
DOE OSTI2019

Integrated Oxygen Production and CO 2 Separation through Chemical Looping Combustion with Oxygen Uncoupling (Final Report)

The project "Integrated Oxygen Production and CO 2 Separation through Chemical Looping Combustion with Oxygen Uncoupling" focused on advancing fluidized bed chemical looping combustion technology to semi-pilot scale. An important aspect of technology scale-up is production of well-performing oxygen carrier materials economically and at a scale sufficient for industrial-scale systems. Under this program, a new technique for oxygen carrier production was developed and a prototype system capable of producing up to 150 lb per batch of oxygen carrier was constructed. Chemical looping combustion testing was performed in a large process development unit designed for operation at more than 200 kW using coal as fuel. Complementary evaluation of carbon conversion pathways was conducted and quantitative analysis of the fate of carbon in a CLOU-based chemical looping system was performed. As an aid for design, optimization, troubleshooting and scale-up, robust CFD models for fluidized bed chemical looping combustion systems were developed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Radiological Monitoring Plan for the Oak Ridge Y-12 National Security Complex: Surface Water

DOE Order 458.1 requires that dose estimates consider contributions from all facilities. In the Y-12 Radiological Monitoring Plan (RMP), surface water is monitored at points that reflect individual facilities, as well as at points that reflect the combined contributions of all facilities. This monitoring plan does not consider other potential routes (i.e., airborne releases and food chains). Thus, a complete determination of total effective dose (TED) cannot be made based on this plan alone. The other routes from Y-12, and all routes from other DOE facilities on the Oak Ridge Reservation (e.g., Oak Ridge National Laboratory (ORNL) and The Heritage Center), must be considered in order to satisfy DOE Order 458.1 requirements. Determination of TED from all sites and pathways is done through the use of dose-assessment models and is documented in the Annual Site Environmental Report. This monitoring plan provides adequate monitoring goals for Y-12 surface water releases to provide input of sufficient sensitivity and accuracy to reliably determine the Y-12 surface water component of the TED. The routine radiological monitoring program is designed to monitor effluents at four types of locations: (1) treatment facilities, (2) other point and area source discharges, (3) instream locations, and (4) production building roof run-off. With this sampling and analysis program, data will be obtained on primary point sources as well as on locations that represent the composite of other potential sources. This plan will be reviewed periodically to determine necessary modifications to the sampling frequencies, parameters, and locations. Modifications, if any, will be based on the analysis of the previous data and its effectiveness in satisfying the objectives of this plan. Appendix A contains graphs of the sum of the DCS fractions for locations and frequencies contained in a previous version of this plan. The data was collected from January 2009 through December 2019. Each sample was analyzed, and each result was divided by the appropriate DCS to compute a DCS fraction. These fractions were summed for all isotopes. According to DOE –STD-1196-2011, the annual average of these sums should be below 1.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1987

The locations and amounts of endogenous ions and elements in the cap and elongating zone of horizontally oriented roots of Zea mays L.: an electron-probe EDS study

We used quantitative electron-probe energy-dispersive x-ray microanalysis to localize endogenous Na, Cl, K, P, S, Mg and Ca in cryofixed and freeze-dried cryosections of the cap (i.e. the putative site of graviperception) and elongating zone (i.e. site of gravicurvature) of horizontally oriented roots of Zea mays. Ca, Na, Cl, K and Mg accumulate along the lower side of caps of horizontally oriented roots. The most dramatic asymmetries of these ions occur in the apoplast, especially the mucilage. We could not detect any significant differences in the concentrations of these ions in the central cytoplasm of columella cells along the upper and lower sides of caps of horizontally-oriented roots. However, the increased amounts of Na, Cl, K and Mg in the longitudinal walls of columella cells along the lower side of the cap suggest that these ions may move down through the columella tissue of horizontally-oriented roots. Ca also accumulates (largely in the mucilage) along the lower side of the elongating zone of horizontally-oriented roots, while Na, P, Cl and K tend to accumulate along the upper side of the elongating zone. Of these ions, only K increases in concentration in the cytoplasm and longitudinal walls of cortical cells in the upper vs lower sides of the elongating zone. These results indicate that (1) gravity-induced asymmetries of ions differ significantly in the cap and elongating zone of graviresponding roots, (2) Ca accumulates along the lower side of the cap and elongating zone of graviresponding roots, (3) increased growth of the upper side of the elongating zone of horizontally-oriented roots correlates positively with increased amounts of K in the cytoplasm and longitudinal walls of cortical cells, and (4) the apoplast (especially the mucilage) may be an important component of the pathway via which ions move in graviresponding rots of Zea mays. These results are discussed relative to mechanisms for graviperception and gravicurvature of roots.

NASA Program Space Biology↗
NASA NTRS2001

Air Traffic Control Decision Support Tools for Noise Mitigation

NASA has initiated a new five year program this year, the Quiet Aircraft Technology (QAT) Program, a program which will investigate airframe and engine system noise reduction. QAT will also address community noise impact. As part of this community noise impact component, NASA will investigate air traffic management (ATM) challenges in reducing noise. In particular, controller advisory automation aids will be developed to aid the air traffic controller in addressing noise concerns as he/she manages traffic in busy terminal areas. NASA has developed controller automation tools to address capacity concerns and the QAT strategy for ATM Low Noise Operations is to build upon this tool set to create added advisories for noise mitigation. The tools developed for capacity will be briefly reviewed, followed by the QAT plans to address ATM noise concerns. A major NASA goal in global civil aviation is to triple the aviation system throughput in all-weather conditions while maintaining safety. A centerpiece of this activity is the Center/TRACON Automation System (CTAS), an evolving suite of air traffic controller decision support tools (DSTs) to enhance capacity of arrivals and departures in both the enroute center and the TRACON. Two of these DSTs, the Traffic Management Advisor (TMA) and the passive Final approach Spacing Tool (pFAST), are in daily use at the Fort Worth Center and the Dallas/Fort Worth (DFW) TRACON, respectively, where capacity gains of 5-13% have been reported in recent NASA evaluations. Under the Federal Aviation Administration's (FAA) Free Flight Phase One Program, TMA and pFAST are each being implemented at six to eight additional sites. In addition, other DSTs are being developed by NASA under the umbrella of CTAS. This means that new software will be built upon CTAS, and the paradigm of real-time simulation evaluation followed by field site development and evaluation will be the pathway for the new tools. Additional information is included in the original extended abstract.

Tobias, Leonard↗
DOE OSTI2013

The SCALE Verified, Archived Library of Inputs and Data - VALID

The Verified, Archived Library of Inputs and Data (VALID) at ORNL contains high quality, independently reviewed models and results that improve confidence in analysis. VALID is developed and maintained according to a procedure of the SCALE quality assurance (QA) plan. This paper reviews the origins of the procedure and its intended purpose, the philosophy of the procedure, some highlights of its implementation, and the future of the procedure and associated VALID library. The original focus of the procedure was the generation of high-quality models that could be archived at ORNL and applied to many studies. The review process associated with model generation minimized the chances of errors in these archived models. Subsequently, the scope of the library and procedure was expanded to provide high quality, reviewed sensitivity data files for deployment through the International Handbook of Evaluated Criticality Safety Benchmark Experiments (IHECSBE). Sensitivity data files for approximately 400 such models are currently available. The VALID procedure and library continue fulfilling these multiple roles. The VALID procedure is based on the quality assurance principles of ISO 9001 and nuclear safety analysis. Some of these key concepts include independent generation and review of information, generation and review by qualified individuals, use of appropriate references for design data and documentation, and retrievability of the models, results, and documentation associated with entries in the library. Some highlights of the detailed procedure are discussed to provide background on its implementation and to indicate limitations of data extracted from VALID for use by the broader community. Specifically, external users of data generated within VALID must take responsibility for ensuring that the files are used within the QA framework of their organization and that use is appropriate. The future plans for the VALID library include expansion to include additional experiments from the IHECSBE, to include experiments from areas beyond criticality safety, such as reactor physics and shielding, and to include application models. In the future, external SCALE users may also obtain qualification under the VALID procedure and be involved in expanding the library. The VALID library provides a pathway for the criticality safety community to leverage modeling and analysis expertise at ORNL.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

IDENTIFICATION OF ADSORBA TION OF ADSORBATE FT-IR BANDS USING IN-SI -IR BANDS USING IN-SITU TECHNIQUES: Pd SPECIATION AND ADSORPTION CHEMISTRY OF Pd-ZEOLITES FOR PASSIVE NOx ADSORPTION

To meet increasingly stringent automotive emissions standards, further improvements in catalytic converter design are necessary. Current automotive catalyst systems are effective at eliminating emission of nitrogen oxides (NOx) once the catalyst reaches operational temperature (~200 °C). NOx emitted at lower catalyst temperatures now comprises most of the NOx released during a typical test cycle. Referred to as “the cold start problem” this issue has come to the forefront of automotive catalyst development, as mitigating these emissions is necessary to further reduce automotive emissions. Passive NOx adsorbers present an appealing solution to the cold start problem, these being a class of materials that chemisorb exhaust components such as NOx, carbon monoxide (CO) and hydrocarbons at near-ambient temperatures, and then desorb these compounds once the downstream catalyst has reached operational temperature. An effective passive NOx adsorber must have several properties: high NOx adsorption at near-ambient temperatures, near-complete NOx desorption at temperatures within the operational range, high thermal stability, and resistance to automotive exhaust components at high temperatures. The potential environmental impact of such a system is substantial, as NOx emissions currently result in the formation of millions of tons of smog and acid rain each year. Pd-exchanged zeolites have shown promise for deployment as Passive NOx adsorbers, though much remains to be understood about their adsorption chemistry and deactivation. In-situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) provides a convenient probe of adsorbed species, most automotive exhaust components possessing IR-active chemical bonds. By examining the evolution of IR bands under various pretreatments and adsorbates, the overall Pd-speciation and adsorptive zeolite sites of each material can be characterized, and the identities of IR bands can be deduced. In this work, microreactor-MS analysis of the adsorption and desorption behavior of these materials was also examined, these results being coupled with in-situ DRIFTS temperature programmed desorption (TPD) to correlate desorption events with specific adsorbed species. A pair of zeolite frameworks of similar Si/Al ratio but differing pore size were examined, Beta zeolite (BEA) and Chabazite (CHA) representing a medium- and small-pore framework, respectively. The effect of Pd-loading on BEA was examined, as well as the various deactivation pathways and active sites of each material.

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

Building a Clean Energy Workforce: Best Practices for State Energy Offices

As federal investments into the clean energy economy are underway, State Energy Offices (SEOs) are engaging in efforts to grow the workforce through the creation and/or funding of workforce initiatives that recruit, train and support pathways into energy efficiency and clean energy jobs. This report provides a summary of clean energy workforce development best practices, supplemented by case studies and lessons learned from several SEOs that showcase these strategies in practice. SEOs can reference this resource as they implement, manage, oversee, and/or evaluate efforts their offices are undertaking through various federally funded programs.

clean energy↗
DOE OSTI2018

JAZ proteins promote growth and reproduction by restraining transcriptional programs that link primary and specialized metabolism

Plants constantly experience attack from surrounding organisms. Because they cannot escape from the environment, plants have evolved a sophisticated immune system to defend themselves against pests and pathogens. However, mounting a defense response is often accompanied by a decrease in growth. The antagonistic relationship between growth and defense has been interpreted as the plant's “dilemma” of how to distribute limited resources between these two fundamental processes. Jasmonic acid (JA) and its derivatives are a class of lipid‐derived hormones that mediate plant immunity against insect herbivores and necrotrophic pathogens, as well as growth, reproduction, and several other physiological processes. JA is perceived by its receptor CORONATINE INSENSITIVE 1 (COI1), which mediates the degradation of the JASMONATE ZIM DOMAIN (JAZ) transcriptional repressors by the 26S proteasome. JAZ degradation releases JA‐responsive transcription factors such as MYC2 from repression, thereby initiating JA responses. Despite the importance of JA in mediating growth‐defense tradeoffs, the mechanism by which JA effects carbon resource allocation between growth and defense is poorly understood. In this study we demonstrate strong constitutive activation of JA signaling pathway in an Arabidopsis mutant ( jazD ) that lacks ten members of JASMONATE ZIM DOMAIN (JAZ) family proteins. This mutant displayed elevated defense against insect herbivores, stunted growth of vegetative tissues, as well as compromised seed reproduction. Metabolic phenotypes of jazD discerned from global protein and transcript profiling were indicative of elevated carbon allocation to protein‐ and amino acid‐based defense compounds. The strong defense sink in jazD leaves was linked to increased respiration and hallmarks of carbon starvation, whereas area‐based photosynthetic efficiency was unaffected. These findings establish a role for JAZ proteins in promoting growth and reproductive success through restraint of transcriptional programs that link primary metabolism to specialized metabolism. Our data suggest that JAZs adjust growth‐defense balance to match anticipated changes in carbon availability, potentially avoiding detrimental effects of carbon limitation that arise during growth‐to‐defense transitions. Support or Funding Information This research was funded by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy through grant DE–FG02–91ER20021. This abstract is from the Experimental Biology 2018 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

Guo, Qiang↗
DOE OSTI2016

Phenotypically anchored transcriptome profiling of developmental exposure to the antimicrobial agent, triclosan, reveals hepatotoxicity in embryonic zebrafish

Triclosan (TCS) is an antimicrobial agent commonly found in a variety of personal care products and cosmetics. TCS readily enters the environment through wastewater and is detected in human plasma, urine, and breast milk due to its widespread use. Studies have implicated TCS as a disruptor of thyroid and estrogen signaling; therefore, research examining the developmental effects of TCS is warranted. In this study, we used embryonic zebrafish to investigate the developmental toxicity and potential mechanism of action of TCS. Embryos were exposed to graded concentrations of TCS from 6 to 120 hours post-fertilization (hpf) and the concentration where 80% of the animals had mortality or morbidity at 120 hpf (EC{sub 80}) was calculated. Transcriptomic profiling was conducted on embryos exposed to the EC{sub 80} (7.37 μM). We identified a total of 922 significant differentially expressed transcripts (FDR adjusted P-value ≤ 0.05; fold change ≥ 2). Pathway and gene ontology enrichment analyses identified biological networks and transcriptional hubs involving normal liver functioning, suggesting TCS may be hepatotoxic in zebrafish. Tissue-specific gene enrichment analysis further supported the role of the liver as a target organ for TCS toxicity. We also examined the in vitro bioactivity profile of TCS reported by the ToxCast screening program. TCS had a diverse bioactivity profile and was a hit in 217 of the 385 assay endpoints we identified. We observed similarities in gene expression and hepatic steatosis assays; however, hit data for TCS were more concordant with the hypothesized CAR/PXR activity of TCS from rodent and human in vitro studies. - Highlights: • Triclosan is a common antimicrobial agent with widespread human exposure. • Exposure to the triclosan EC{sub 80} causes robust gene expression changes in zebrafish. • The liver may be a target organ of triclosan toxicity in embryonic zebrafish. • Triclosan disrupts normal liver functioning and development in embryonic zebrafish. • A summary of triclosan's bioactivity profile in the ToxCast program is discussed.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2007

Direct UV/Optical Imaging of Stellar Surfaces: The Stellar Imager (SI) Vision Mission

The Stellar Imager (SI) is a UV/optical, space-based interferometer designed to enable 0.1 milli-arcsecond (mas) spectral imaging of stellar surfaces and, via asteroseismology, stellar interiors and of the Universe in general. SI's science focuses on the role of magnetism in the Universe, particularly on magnetic activity on the surfaces of stars like the Sun. SI's prime goal is to enable long-term forecasting of solar activity and the space weather that it drives, in support of the Living with a Star program in the Exploration Era. SI will also revolutionize our understanding of the formation of planetary systems, of the habitability and climatology of distant planets, and of many magneto-hydrodynamically controlled processes in thc Universe. SI is a "Flagship and Landmark Discovery Mission" in the 2005 Sun Solar System Connection (SSSC) Roadmap and a candidate for a "Pathways to Life Observatory" in the Exploration of the Universe Division (EUD) Roadmap. We discuss herein the science goals of the SI Mission, a mission architecture that could meet those goals, and the technologies needed to enable this mission. Additional information on SI can be found at: http://hires.gsfc.nasa.gov/si/.

Carpenter, Kenneth G.↗
DOE OSTI2024

Consequence Management Asset Overview

Presentation summarizing DOE Consequence Management assets available to support state, local, territorial, and tribal partners during a radiological emergency. This presentation will be given at various state engagements, including training and outreach for ingestion pathway exercises, national and regional CM exercises, and trainings for radiological emergency preparedness events as requested.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

Temperature-programmed deoxygenation of acetic acid on molybdenum carbide catalysts

Temperature programmed reaction (TPRxn) is a simple yet powerful tool for screening solid catalyst performance at a variety of conditions. A TPRxn system includes a reactor, furnace, gas and vapor sources, flow control, instrumentation to quantify reaction products (e.g., gas chromatograph), and instrumentation to monitor the reaction in real time (e.g., mass spectrometer). Here, we apply the TPRxn methodology to study molybdenum carbide catalysts for the deoxygenation of acetic acid, an important reaction among many in the upgrading/stabilization of biomass pyrolysis vapors. TPRxn is used to evaluate catalyst activity and selectivity and to test hypothetical reaction pathways (e.g., decarbonylation, ketonization, and hydrogenation). Furthermore, the results of the TPRxn study of acetic acid deoxygenation show that molybdenum carbide is an active catalyst for this reaction at temperatures above ca. 300 °C and that the reaction favors deoxygenation (i.e., C-O bond-breaking) products at temperatures below ca. 400 °C and decarbonylation (i.e., C-C bond-breaking) products at temperatures above ca. 400 °C.

09 BIOMASS FUELS↗