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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 OSTI2026

Crystal Orientation and Defect Mapping in Electron-Beam-Sensitive Zeolites with Near-Axis Transmission Kikuchi Diffraction

Porous materials are vital in catalysis, energy conversion, and environmental remediation. Understanding structural heterogeneity in zeolites is key to linking synthesis, framework intergrowths, and catalytic performance, yet current methods for phase identification and spatial mapping lack sufficient resolution or throughput. We present a high-throughput approach using near-axis transmission Kikuchi diffraction in a scanning electron microscope, achieving high phase and spatial resolution for electron-beam-sensitive zeolites, including ZSM-5 and, for the first time, Zeolite A. Here, this method enables direct visualization of intergrowth features that critically affect catalytic and adsorption behavior, bridging the gap between ensemble-averaged X-ray diffraction and high-resolution but low-throughput transmission electron microscopy. Combining nanoscale mapping with statistical sampling is highly suited for machine-learning pipelines guiding new structure function understanding and could be extended to other beam-sensitive porous materials such as metal–organic or covalent–organic frameworks.

crystallography↗
DOE OSTI2019

Protection of GaInP 2 Photocathodes by Direct Photoelectrodeposition of MoS x Thin Films

Catalytic MoS x thin films have been directly photoelectrodeposited on GaInP 2 photocathodes for stable photoelectrochemical hydrogen generation. Specifically, the MoSx deposition conditions were controlled to obtain 8-10 nm films directly on p-GaInP 2 substrates without ancillary protective layers. The films were nominally composed of MoS 2 , with additional MoO x S y and MoO 3 species detected and showed no long-range crystalline order. The as-deposited material showed excellent catalytic activity toward the hydrogen evolution reaction relative to bare p-GaInP 2 . Notably, no appreciable photocurrent reduction was incurred by the addition of the photoelectrodeposited MoSx catalyst to the GaInP 2 photocathode under light-limited operating conditions, highlighting the advantageous optical properties of the film. The MoS x catalyst also imparted enhanced durability toward photoelectrochemical hydrogen evolution in acidic conditions, maintaining nearly 85% of the initial photocurrent after 50 h of electrolysis. In total, this work demonstrates a simple method for producing dual-function catalyst/protective layers directly on high-performance, planar III-V photoelectrodes for photoelectrochemical energy conversion.

14 SOLAR ENERGY↗
DOE OSTI2020

Nickel Speciation and Methane Dry Reforming Performance of Ni/Ce x Zr 1-x O 2 Prepared by Different Synthesis Methods

Herein, ceria–zirconia-supported Ni catalysts (Ni/Ce 0.83 Zr 0.17 O 2 or Ni/CZ) are prepared by dry impregnation, strong electrostatic adsorption, coprecipitation (CP), and combustion synthesis (CS). The nature and abundance of Ni species in these samples are characterized by X-ray adsorption spectroscopy, temperature-programmed reduction, and CO chemisorption. The bulk synthesis methods (i.e., CP and CS) produce Ni cations that are incorporated into the CZ lattice forming mixed-metal oxides with Ni 3+ species at low Ni content. The formation of mixed-metal oxides increases the reducibility of CZ and increases the abundance of active surface oxygen. All NiO/CZ catalysts are active for methane dry reforming and retain some of their activity at a steady state. The initial methane conversion correlates linearly with the fraction of accessible Ni after reduction. The predominant path of catalyst deactivation strongly depends on the structure of the catalyst and, thus, on the synthesis method used. All catalysts experience agglomeration of Ni particles under reaction conditions. Improving the Ni dispersion to isolated species embedded in a support does not improve resistance to Ni particle growth. Coke formation is inversely related to the concentration of active surface oxygen. The dominant deactivation mechanism for catalysts made by CS is the encapsulation of Ni particles by the support.

03 NATURAL GAS↗
DOE OSTI2025

Dual-Wavelength Simultaneous Patterning of Degradable Thermoset Supports for One-Pot Embedded 3D Printing

Vat photopolymerization (VP) techniques have enabled the fabrication of complex geometries while balancing high precision and fast processing times. 3D printed objects are traditionally built layer-by-layer with newly cured layers being structurally supported by previous ones. Fabricating unsupported features such as overhangs and arches risks misalignment and sagging, limiting the range of accessible designs. To overcome this issue, support structures are fabricated along with the primary object as temporary scaffolds that provide stability and conserve print fidelity. For VP specifically, patterning dissolvable sacrificial supports is attractive to avoid manual removal after printing. In this study, we demonstrate a base-degradable thermoset to pattern print supports in a one-pot formulation along with the primary structural material. Efficient printing is enabled using a dual-wavelength negative imaging (DWNI) DLP printer that patterns the degradable thermoset with visible light and the permanent network with UV light, which are simultaneously projected using a single digital micromirror device (DMD). Printed objects undergo thermal postprocessing to enhance the final conversion of the primary material, after which thermoset supports are degraded in a basic, aqueous solution. This approach provides a robust method for the dual-wavelength patterning of sacrificial thermoset supports, broadening the range of accessible 3D printable materials and geometries.

3D printing↗
DOE OSTI2021

High-fidelity and high-resolution phase mapping of granites via confocal Raman imaging

Abstract In physical sciences such as chemistry and earth sciences, specifically for characterization of minerals in a rock, automated, objective mapping methods based on elemental analysis have replaced traditional optical petrography. However, mineral phase maps obtained from these newer approaches rely on conversion of elemental compositions to mineralogical compositions and thus cannot distinguish mineral polymorphs. Secondly, these techniques often require laborious sample preparations such as sectioning, polishing, and coating which are time-consuming. Here, we develop a new Raman imaging protocol that is capable of mapping unpolished samples with an auto-focusing Z-mapping feature that allows direct fingerprinting of different polymorphs. Specifically, we report a new methodology for generating high fidelity phase maps by exploiting characteristic peak intensity ratios which can be extended to any multi-phase, heterogenous system. Collectively, these enhancements allow us to rapidly map an unpolished granite specimen (~ 2 × 2 mm) with an exceptionally high accuracy (> 97%) and an extremely fine spatial resolution (< 0.3–2 µm).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Simultaneous spin-coating and solvent annealing: Manipulating the active layer morphology to a power conversion efficiency of 9.6% in polymer solar cells

Here, we developed a simultaneous spin-coating/solvent-annealing process and demonstrated morphology optimization for PTB7 based organic photovoltaics. This novel processing method enhances the edge-on crystalline content in thin films and induces the formation of weak PCBM aggregates. As a result, the efficiency of polymer solar cells increased from 9.2% to a certified high efficiency of 9.61%, owing to an enhanced short-circuit current (J sc , 18.4 mA cm –2 vs. 17. 5 mA cm –2 ) and an improved fill factor.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Negative differential mobility for negative carriers as revealed by space charge measurements on crosslinked polyethylene insulated model cables

Among features observed in polyethylene materials under relatively high field, space charge packets, consisting in a pulse of net charge that remains in the form of a pulse as it crosses the insulation, are repeatedly observed but without complete theory explaining their formation and propagation. Positive charge packets are more often reported, and the models based on negative differential mobility(NDM) for the transport of holes could account for some charge packets phenomenology. Conversely, NDM for electrons transport has never been reported so far. The present contribution reports space charge measurements by pulsed electroacoustic method on miniature cables that are model of HVDC cables. The measurements were realized at room temperature or with a temperature gradient of 10 °C through the insulation under DC fields on the order 30–60 kV/mm. Space charge results reveal systematic occurrence of a negative front of charges generated at the inner electrode that moves toward the outer electrode at the beginning of the polarization step. It is observed that the transit time of the front of negative charge increases, and therefore the mobility decreases, with the applied voltage. Further, the estimated mobility, in the range 10{sup −14}–10{sup −13} m{sup 2} V{sup −1} s{sup −1} for the present results, increases when the temperature increases for the same condition of applied voltage. The features substantiate the hypothesis of negative differential mobility used for modelling space charge packets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Quantification of uncertainties in thermoelectric properties of materials from a first-principles prediction method: An approach based on Gaussian process regression

We present the electron-phonon averaged via Gaussian process regression (EPA-GPR) method, in which the electron-phonon coupling matrix is represented as a function of two energies and is in turn modeled as a Gaussian process. The EPA-GPR method can be used as an efficient method to estimate thermoelectric properties of materials for fast-screening applications, comparable to the original electron-phonon averaged (EPA) method and the electron-phonon averaged via moving-least-squares (EPA-MLS) method. The EPA-GPR method does not require specification of any open parameter, unlike the other EPA-related methods, since all the hyperparameters in the model can be unambiguously estimated within the type II maximum likelihood (ML-II) approximation. Thus, the EPA-GPR method is a parameter-free estimation method. Additionally, the concept of Gaussian processes in the EPA-GPR method allows us to quantify the uncertainty in estimated properties of thermoelectric materials. One can randomly realize the electron-phonon coupling coefficients from the identified Gaussian process, and those realized samples can be further analyzed in the solution process of the semiclassical Boltzmann transport equation for charge carriers. The results of the semiclassical Boltzmann transport equation provide the statistical properties of the thermoelectric properties of interest. The means, standard deviations, histograms, and confidence intervals of the Seebeck coefficient, the electrical conductivity, and the power factor can be constructed and analyzed. Furthermore the proposed EPA-GPR method is applied to a p-type half-Heusler compound, i.e., HfCoSb, as a case example, the results of which clearly present the advantages of the method.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Additive Manufacturing of Energy Harvesting Material System for Active Wireless MEMS Sensors

Combustion systems make up a large sum of the world’s yearly energy production despite advances in renewable energy sources. Precise control of pressure and temperature in combustion chambers allows for lower carbon emissions, and overall higher efficiency. Wireless temperature and pressure sensors are critical for the operation of combustion chambers. Energy harvesters have emerged as a viable way to power wireless sensors when heat and mechanical energy are available. Lithium niobate (LNB), barium titanate (BTO), and lead zirconate titanate (PZT) pyroelectric ceramics were studied and fabricated through additive manufacturing (AM) for use as energy harvesting structures in combustion environments. The electric power generation potential of LNB and PZT ceramics was studied by varying the temperature from 50 to 60 °C and by introducing cyclic compression loads of 2000 N amplitude. It was found that thermal energy conversion had the highest output of 500 nW and that combined thermal and mechanical conversion did not increase the harvesting potential because of the competing contributions of both effects. Powder bed and slurry extrusion AM methods were used to fabricate BTO and PZT ceramic structures. Optimization of the powder-based binder jetting method produced BTO ceramics with a relative density of 36.77% a piezoelectric coefficient of 153 pC/N. The density of the ceramics increased up to 56% when increasing the saturation of binder in the powder to because of liquid phase sintering. Finally, PZT structures were manufactured through AM and fin features were added to the design to enhance the heat transfer along the material. The harvested power density of the flat samples was 3.643 μW/cm 3 and of the finned samples was 3.034 μW/cm3. This research paves the ways for the development of self-powered wireless sensors in critical areas of operation such as combustion.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

A data-driven method to estimate the antiproton background in the Mu2e experiment

The Mu2e experiment at Fermilab will search for the Charged Lepton Flavour Violating (CLFV) process of coherent, neutrinoless µ− → e − conversion in the field of an aluminum nucleus. The expected signal is a monochromatic electron with the energy of 104.97 MeV, slightly below the muon rest mass. Observation of a CLFV process would provide unambiguous evidence for Beyond the Standard Model (BSM) physics. Mu2e is sensitive to a wide range of BSM models and has the capability to distinguish between them, guiding us towards the most accurate models. The key features of the Mu2e experiment are: (1) a high intensity pulsed negative muon beam with about 1010 stopped µ −/s, and (2) a sophisticated superconducting solenoid system with a gradient magnetic field to form and guide the intense muon beam to the target. The Mu2e physics data taking is expected to begin in 2027. For Run I, the expected 5σ discovery sensitivity is Rµe = 1.2 × 10−15, with a total expected background of 0.11 ± 0.03 events. In the absence of a signal, the expected upper limit is Rµe < 6.2 × 10−16 at 90% CL. The success of this experiment hinges on the accurate estimation of the background from various SM processes that could provide signal-like electrons. One of the background processes is antiprotons annihilating in the stopping target to produce signal like electrons through π0 → γγ decays followed by γ conversions, and π− → µ−ν¯ decays followed by µ− decay. It is a relatively small background with large uncertainty (100%) due to the lack of antiproton production cross section information for the Mu2e proton beam energy of 8 GeV. We have developed a novel methodology to estimate the antiproton background in-situ. This forms the main theme of the thesis. We observed that at Mu2e energies, antiproton annihilation in the stopping target is the only source of events with multiple, simultaneous particle trajectories. From Geant4 simulations, only about 0.2% of the simulated antiproton annihilation events have a signal-like electron. Meanwhile, ∼ 5% of events have multiple reconstructible particle tracks per event. Therefore, we have devised a methodology to reconstruct the multi-track events and estimate the antiproton background by exploiting the large ratio of the production rates of the two final states.

Chithirasreemadam, Namitha [Pisa U.] (ORCID:000000↗
DOE OSTI2024

Data for Hydrothermal Conditioning of Oleaginous Yeast Cells to Enable Recovery of Lipids as Potential Drop-in Fuel Precursors

Lipids produced using oleaginous yeast cells are an emerging feedstock to manufacture commercially valuable oleochemicals ranging from pharmaceuticals to lipid-derived biofuels. Production of biofuels using oleaginous yeast is a multistep procedure that requires yeast cultivation and harvesting, lipid recovery, and conversion of the lipids to biofuels. The quantitative recovery of the total intracellular lipid from the yeast cells is a critical step during the development of a bioprocess. Their rigid cell walls often make them resistant to lysis. The existing methods include mechanical, chemical, biological and thermochemical lysis of yeast cell walls followed by solvent extraction. In this study, an aqueous thermal pretreatment was explored as a method for lysing the cell wall of the oleaginous yeast Rhodotorula toruloides for lipid recovery. Hydrothermal pretreatment for 60 min at 121 °C with a dry cell weight of 7% (w/v) in the yeast slurry led to a recovery of 84.6 ± 3.2% (w/w) of the total lipids when extracted with organic solvents. The conventional sonication and acid-assisted thermal cell lysis led to a lipid recovery yield of 99.8 ± 0.03% (w/w) and 109.5 ± 1.9% (w/w), respectively. The fatty acid profiles of the hydrothermally pretreated cells and freeze-dried control were similar, suggesting that the thermal lysis of the cells did not degrade the lipids. This work demonstrates that hydrothermal pretreatment of yeast cell slurry at 121 °C for 60 min is a robust and sustainable method for cell conditioning to extract intracellular microbial lipids for biofuel production and provides a baseline for further scale-up and process integration.

Conversion↗
DOE OSTI2019

Development of Rhodococcus opacus as a chassis for lignin valorization and bioproduction of high-value compounds

The current extraction and use of fossil fuels has been linked to extensive negative health and environmental outcomes. Lignocellulosic biomass-derived biofuels and bioproducts are being actively considered as renewable alternatives to the fuels, chemicals, and materials produced from fossil fuels. A major challenge limiting large-scale, economic deployment of second-generation biorefineries is the insufficient product yield, diversity, and value that current conversion technologies can extract from lignocellulose, in particular from the underutilized lignin fraction. Rhodococcus opacus PD630 is an oleaginous gram-positive bacterium with innate catabolic pathways and tolerance mechanisms for the inhibitory aromatic compounds found in depolymerized lignin, as well as native or engineered pathways for hexose and pentose sugars found in the carbohydrate fractions of biomass. As a result, R. opacus holds potential as a biological chassis for the conversion of lignocellulosic biomass into biodiesel precursors and other value-added products. This review begins by examining the important role that lignin utilization will play in the future of biorefineries and by providing a concise survey of the current lignin conversion technologies. The genetic machinery and capabilities of R. opacus that allow the bacterium to tolerate and metabolize aromatic compounds and depolymerized lignin are also discussed, along with a synopsis of the genetic toolbox and synthetic biology methods now available for engineering this organism. Finally, we summarize the different feedstocks that R. opacus has been demonstrated to consume, and the high-value products that it has been shown to produce. Engineered R. opacus will enable lignin valorization over the coming years, leading to cost-effective conversion of lignocellulose into fuels, chemicals, and materials.

09 BIOMASS FUELS↗
DOE OSTI2022

CFD-DEM Modeling of Autothermal Pyrolysis of Corn Stover with a Coupled Particle- and Reactor-Scale Framework

Autothermal operation of fast pyrolysis is an efficient process-intensification technique wherein exothermic oxidation reactions are used to overcome the heat-transfer bottleneck of conventional pyrolysis. The development of accurate, reliable modeling toolsets is imperative to generating a deeper understanding of biomass autothermal pyrolysis systems to support scale-up and industrial deployment. This modeling effort describes the development of single-particle and reactor models which incorporate detailed reaction schemes and simultaneous exothermic oxidation reactions. The particle-scale model was parameterized for corn stover feedstock with particle morphology, density, ash content, and biopolymer composition, all of which impact the emergent conversion characteristics during pyrolysis. Results were then used to parameterize a reactor-scale autothermal pyrolysis model, which was developed using a coarse-grained computational fluid dynamic-discrete element method. The simulation results compared well with experimental results, with the predicted bio-oil, light gas, and biochar yield within 3.0 wt% of the experimental yields. Further analyses were performed to test the influence of equivalence ratio, biomass injection position, and particle size distribution on autothermal pyrolysis. The analysis of the physio-chemical properties of the fluid and solid phase inside the reactor and at the reactor outlet help reveal important process interactions of autothermal pyrolysis.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2015

Hydrogen-based power generation from bioethanol steam reforming

This paper is evaluating two power generation concepts based on hydrogen produced from bioethanol steam reforming at industrial scale without and with carbon capture. The power generation from bioethanol conversion is based on two important steps: hydrogen production from bioethanol catalytic steam reforming and electricity generation using a hydrogen-fuelled gas turbine. As carbon capture method to be assessed in hydrogen-based power generation from bioethanol steam reforming, the gas-liquid absorption using methyl-di-ethanol-amine (MDEA) was used. Bioethanol is a renewable energy carrier mainly produced from biomass fermentation. Steam reforming of bioethanol (SRE) provides a promising method for hydrogen and power production from renewable resources. SRE is performed at high temperatures (e.g. 800-900°C) to reduce the reforming by-products (e.g. ethane, ethene). The power generation from hydrogen was done with M701G2 gas turbine (334 MW net power output). Hydrogen was obtained through catalytic steam reforming of bioethanol without and with carbon capture. For the evaluated plant concepts the following key performance indicators were assessed: fuel consumption, gross and net power outputs, net electrical efficiency, ancillary consumptions, carbon capture rate, specific CO{sub 2} emission etc. As the results show, the power generation based on bioethanol conversion has high energy efficiency and low carbon footprint.

08 HYDROGEN↗
DOE OSTI2022

Meshfree Methods for Modeling Chemo-Mechanical Cathode Cracking in Li-Ion Batteries

Through repeated charging and discharging, the electrodes of a Li-ion battery experience cyclic loading causing swelling and contraction due to the movement of lithium, also known as intercalation. This research focuses specifically on the chemo-mechanical cracking in the cathode. Because cathode particles are comprised of many randomly-oriented grains, which have highly anisotropic material properties, the expansion and contraction is very non-uniform. As a result, stress concentrations tend to form between grains, which necessitates the modeling of crack propagation largely along grain boundaries. Chemo-mechanical models are simulated mainly by two methods: the cohesive zone model (CZM) and the continuous damage model (CDM). The CZM is more accurate at capturing the sharp discontinuities of a crack but is very computationally expensive and intractable for large-scale models as a result. Conversely, the CDM is easily computed but not well-suited to easily allow for discontinuous field variables, which are inherent across a crack. This study aims to improve the CDM's ability to capture discontinuous cracks. Current versions of the CDM use the finite element method (FEM), which is one of the most widely used approaches for spatial discretization. This research investigates the use of the Reproducing Kernel Particle Method (RKPM), a meshfree method, for spatial discretization and aims to achieve a chemo-mechanical crack propagation model that achieves both intermediate accuracy and computational time between a CDM and CZM. To gain a better understanding of how the meshfree model compares to the current FEM model in capturing cathode crack propagation, further investigation is needed.

cathode cracking↗
DOE OSTI2023

Meshfree Multiphysics Damage Modeling of Li-ion Battery Materials

Through repeated charging and discharging cycles, the electrodes of a Li-ion battery experience significant swelling and contraction due to the movement of lithium, also known as intercalation. This research focuses specifically on the chemo-mechanical cracking in the cathode. Because cathode particles are comprised of many randomly-oriented grains, which have highly anisotropic material properties, the expansion and contraction is very non-uniform. As a result, stress concentrations tend to form between grains, which necessitates the modeling of crack propagation largely along grain boundaries and material interfaces. Chemo-mechanical damage models are generally simulated by one of two methods: the cohesive zone model (CZM) and the continuous damage model (CDM). The CZM is more accurate at capturing the sharp discontinuities of a crack but is very computationally expensive and intractable for large-scale models as a result. Conversely, the CDM is easily computed but not well-suited to easily allow for discontinuous field variables, which are inherent across a crack. This study aims to improve the CDM's ability to capture discontinuous cracks. Current versions of the CDM use the finite element method (FEM), which is one of the most widely used approaches for spatial discretization. This research investigates the use of the Reproducing Kernel Particle Method (RKPM), a meshfree method, for spatial discretization and aims to achieve a coupled chemo-mechanical crack propagation model that enhances accuracy while maintaining high computational efficiency. This model features a fully coupled, iterative electrochemistry solution, which informs the meshfree damage model of impending crack formation. To gain a better understanding of how the meshfree model compares to the current FEM model in capturing cathode crack propagation, further investigation is needed.

damage modeling↗
DOE OSTI2016

Improved conversion efficiency of dye sensitized solar cell using Zn doped TiO{sub 2}-ZrO{sub 2} nanocomposite

TiO{sub 2}-ZrO{sub 2} and Zn doped TiO{sub 2}-ZrO{sub 2} nanocomposites were prepared by hydrothermal method for dye sensitized solar cell (DSSC) application. The structural and optical properties were investigated by X –ray diffraction (XRD) and UV-Visible spectroscopy respectively. XRD results revealed the formation of material in nano size. The average crystallite size is 22.32 nm, 17.41 nm and 6.31 nm for TiO{sub 2}, TiO{sub 2}-ZrO{sub 2} and Zn doped TiO{sub 2}-ZrO{sub 2} nanocomposites respectively. The optical bandgap varies from 2.04 eV to 3.75 eV. Dye sensitized solar cells were fabricated using the prepared material. Pomegranate juice was used as a sensitizer and graphite coated conducting glass plate was used as counter electrode. The I – V characteristics were recorded to measure photo response of DSSC. Photovoltaic parameter like open circuit voltage, power conversion efficiency, and fill factor were evaluated for fabricated solar cell. The power conversion efficiency of DSSC fabricated with TiO{sub 2}, TiO{sub 2}-ZrO{sub 2} and Zn doped TiO{sub 2}-ZrO{sub 2} nanocomposites were found 0.71%, 1.97% and 4.58% respectively.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Biofuels Refining Engineering

The goal of this project is the development of novel catalysts and knowledge of reaction pathways and mechanisms for conversion of biomass-based compounds to fuels that are compatible with oil-based fuels and with acceptable or superior fuel properties. The research scope included both catalysts to convert lignocellulosic biomass-based molecules (from pyrolysis) and vegetable oil-based molecules (i.e., triglycerides and fatty acid methyl esters). This project comprised five technical tasks. Each task is briefly introduced below, and major technical accomplishments summarized. Technical accomplishments were described in greater detail in the quarterly progress reports, and in even more detail in the >50 publications acknowledging this DoE project funding (list of publications and presentations included at the end of this report). The results of this research added greatly to the knowledge base necessary for upgrading of pyrolysis oil to hydrocarbon fuels and chemicals, and for conversion of vegetable oils to fungible diesel fuel. Numerous new catalysts and catalytic reaction systems were developed for upgrading particular compounds or compound families found in the biomass-based pyrolysis oils and vegetable oils. Methods to mitigate catalyst deactivation were investigated, including novel reaction/separation systems. Performance and emission characteristics of biofuels in flames and engines were measured. Importantly, the knowledge developed from this project became the basis for a subsequent collaborative proposal led by our research group, involving researchers from the University of Wisconsin, the University of Pittsburg, and the Idaho National Lab, for the DoE Carbon, Hydrogen and Separations Efficiency (CHASE) program, which was subsequently funded (one of only four projects awarded in the CHASE program). The CHASE project examined novel catalytic processes for lignocellulosic biomass conversion as well as technoeconomic analyses for process options for maximum carbon capture and hydrogen efficiency. Our research approach combined catalyst synthesis, measurements of catalyst activity and selectivity in different reactor systems and conditions, and detailed catalyst characterization to develop fundamental understanding of reaction pathways and the capability to predict product distributions. Nearly all of the candidate catalysts were prepared in-house via standard techniques such as impregnation, co-impregnation, or chemical vapor deposition. Supports were usually purchased, but in some cases coprecipitation was used to simultaneously create the support and active component, which can be advantageous for strong active component-support interactions and for achieving high active component dispersion. In-house synthesis also allowed for studies of the effects on catalyst activity and selectivity of such factors as support porosity, calcination temperature, and reduction/activation conditions. Depending on the physical characteristics of the molecule, catalyst activity measurements were carried out in tubular flow reactors (for vapor phase reactions) or stirred tank reactors (for liquid phase reactions) over a wide range of pressures and temperatures. Reactant and product concentrations were measured using gas chromatography (both on-line and off-line, with TCD, FID, and/or mass spectrometric detection). For promising catalysts, detailed physicochemical characterization was carried out using FTIR, Raman, XPS, and XRD spectroscopies (all available in our laboratories) and TEM spectroscopy (available at OU). Additional methods included temperature programmed techniques (TPD, TPO) and surface area measurements by nitrogen adsorption techniques.

01 COAL, LIGNITE, AND PEAT↗