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At least 379 records · Page 21

Improved Infrared Optical Constants from Pressed Pellets: II. Ellipsometric n and k Values for Ammonium Sulfate with Variability Analysis

Infrared spectral imaging is facilitated via the comparison of spectra recorded in situ to a databank of actual or synthetic infrared reflectance spectra. It has recently been shown that reference spectra corresponding to the many different morphological forms of the same chemical can be generated synthetically using the imaginary, k, and real, n, components of the complex refractive index, n~ = n + ik. One method to obtain the n and k vectors is infrared ellipsometry, which measures the changes in amplitude, tan ?, and phase, ?, of polarized light reflected from the sample both as a function of wavenumber and angle of incidence. The method requires specularly reflected light so best results are usually obtained with polished planar samples of large surface area. Due to the difficulties of obtaining such samples, however, we investigate the possibility of pressing powders of neat materials and obtaining the corresponding optical constants from the pellets. In this paper, variability in the sample pellet and preparation method is investigated, as is variability in the fitting procedure for the derived optical constants. The n/k vectors are derived from the measured ellipsometric parameters, tan ? and ?, as they are fit by an oscillator model which yield n(?) and k(?) vectors as a function of wavenumber, ?. Construction of the oscillator model is not automatic and depends on significant input from the analyst as well as the sample’s physical characteristics. For the pellet pressing, the experimental variability was found to be minimized for size-selected powdered samples as gauged by the minimal variance in ? and ? for three different pellets; similarly, the analytical precision for multiple measurements of the same pellet was also quite good, suggesting that a pressed pellet is a viable sample preparation method. The greatest variability came in the analytic fitting procedure with differences up to 20% arising from four different fits to the same data set. The final ellipsometric n/k data are compared to literature values obtained from crystalline (NH4)2SO4 samples as well as single-angle reflectance measurements that also used pressed pellets. Comparison with the previous literature values shows generally good agreement although higher k-values are observed for the independent sets of data derived from pressed pellets. These data are suggested as an improved set of optical constants for (NH4)2SO4.

optical constants, ellipsometry, ammonium sulfate,↗

The compatibility performance of fuel system elastomers with two dioxolane molecules as blends with diesel

The compatibility of 17 elastomers with two dioxolane molecules was assessed by volume change and hardness measurements. Each molecule was blended with diesel in concentrations of 0, 10, 20 and 30 wt.%. The elastomers included two fluorocarbons, six acrylonitrile butadiene rubbers (NBRs), and one each of fluorosilicone, chloroprene rubber (CR), polyurethane, styrene butadiene rubber (SBR), hydrogenated NBR (HNBR), a blend of NBR and PVC (OZO), epichlorohydrin/ ethylene oxide (ECO), ethylene propylene diene monomer (EPDM), and silicone. Specimens of each elastomer were immersed in the test fuels for a period of 4 weeks and measured for property change. Afterwards they were dried at 60°C for 20 h and remeasured. The results showed that the dioxolanes were suitable with many of the elastomers and that the performances were essentially the same for both molecules. The dioxolanes were found to either have negligible impact beyond neat diesel or they produced a small increase in swell. This minimal impact is attributed to the fact that the solubility parameters (especially those associated with polarity and hydrogen bonding) of the dioxolanes are similar to those of diesel. As a result, little change in solubility and hence swell occurred when dioxolane was added to the diesel.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Flammability and thermal stability of thermoplastic-based composites filled with natural carbon

This investigation characterized flammability and thermal stability for a novel sustainable composite engineered for use in building applications. Flammability and thermal stability of coal plastic composites composed of coal (40–60 wt.%) and high-density polyethylene were compared to commercial wood–plastic composites. Pyrolysis thermogravimetric analysis results indicated that coal plastic composites possessed a single-step decomposition and higher char residue, while wood–plastic composites had two-step decomposition, with the first peak occurring at much lower temperatures. Thermogravimetric analyses in air suggest coal plastic composites, compared to wood–plastic composites and neat high-density polyethylene, were more thermally stable. Flash ignition temperatures for coal plastic composites were higher than high-density polyethylene and wood–plastic composites, while self-ignition temperatures were in the same range as wood–plastic composites. Rate of burning data indicated coal plastic composites were slower burning than wood–plastic composites, with increasing coal content slowing burning rate by 19.9%–27.6%. Cone calorimeter testing showed 27% and 59% reduction in total heat release and total smoke release as coal content increased while coal plastic composite with 60 wt.% coal possessed lower overall flammability in comparison with predominant commercially available wood–plastic composite products. Coal improved composite overall thermal stability and flammability by acting as char former and foaming agent.

Engineering↗

Knock-limited combustion of ethanol-, isobutanol-, and 2-methyl-3-buten-2-ol-gasoline blends in a direct-injected spark-ignition engine

Knock-limited combustion of alcohol-gasoline fuel blends was studied in a direct-injection spark-ignition engine. Ethanol, isobutanol (2-methyl-1-propanol), and methylbutenol (2-methyl-3-buten-2-ol) were splash-blended with a blendstock for oxygenate blending (BOB) gasoline. Ethanol was blended in fractions of 10%, 20%, and 30% by volume (E10, E20, and E30). Isobutanol and methylbutenol were blended to match the oxygen weight percentage of the ethanol blends, resulting in blends of 16%, 32%, and 49% (I16, I32, and I49) isobutanol by volume and 18%, 37%, and 56% (M18, M37, and M56) methylbutenol by volume. Neat BOB and gasoline primary reference fuels (PRF) with octane numbers (ON) of 87 (PRF87) and 100 (PRF100) were included for reference. The engine was operated at fixed speed, equivalence ratio, and injection timing while knock-limited spark advance was located across a range of intake pressures. Low-level alcohol blends E10 and M18 had similar knocking behavior and appeared to be slightly more knock-resistant than I16. For mid-level blends, E20 showed further improvement over I32 while M37 showed noticeably better knock resistance, able to match the knock-resistance of PRF100 for loads above 1000 kPa gross indicated mean effective pressure (GIMEP). For high-level blends, the difference between E30 and I49 was similar to their mid-level counterparts. However, M56 showed significant improvement over E30 and I49 throughout the entire range of loads tested. M56 exceeded the knock-resistance of PRF100 for loads above 700 kPa GIMEP. The improved knock-resistance combined with the increased volumetric energy density of methylbutenol resulted in improved fuel consumption and indicated efficiency. The overall results of this study indicate that the order of knock-resistance of these three alcohols, for direct-injection operation with injection during the intake stroke, is isobutanol < ethanol < methylbutenol when compared on an equal oxygen weight basis.

33 ADVANCED PROPULSION SYSTEMS↗

Carbon nanofibers based carbon–carbon composite fibers

Textile grade polyacrylonitrile (PAN) was used as a precursor material for carbon fiber preparation. E-beam irradiated polyacrylonitrile grafted carbon nanofibers were dispersed in polyacrylonitrile solution (dissolved in dimethyl formamide). Carbon nanofibers (CNF) infused polyacrylonitrile solution was wet spun on a lab-scale wet-spinning setup to form 50 to 70 µm diameter fibers with 3.2 wt.% CNF-PAN, 6.4 wt.% CNF-PAN, and neat PAN. Precursor fibers were characterized for thermal, mechanical and morphological properties using various techniques. Drawing the precursor fibers further enhanced polymer chain orientation and coalesced the voids, enhancing tensile strength and modulus by more than 150% compared to those of the undrawn fibers. Precursor composite fibers on carbonization showed enhanced strength, compared to that of pristine PAN fibers, by four times and stiffness by 14 times. The carbon–carbon composite fibers were further characterized with SEM/FIB, XRD and tensile strength. The property improvements were dependent on the uniform distribution of carbon nanofibers, and surface modification of carbon nanofibers further enabled their dispersion in the composite fibers. Furthermore, 3.2 wt.% CNFs in PAN fibers showed maximum improvement in properties compared to 6.4 wt.% CNF in PAN fibers, indicating that the property enhancements go through a maximum and then drop off due to challenge in getting uniform distribution of nanofibers.

36 MATERIALS SCIENCE↗

Effect of fiber reinforcement on the process parameters of injection molding manufacturing process

Use of fillers with the resin is common in injection molding manufacturing technique to enhance the stiffness and strength of the manufactured components. However, the addition of fillers changes the rheological and mechanical properties of the material, required adjustments in the process parameters used for the manufacturing. The present study aims to investigate this impact of fillers on the process parameters of the injection molding manufacturing process. Neat Acrylonitrile Butadiene Styrene (ABS) and ABS reinforced with short glass fibers are used as the materials to perform the comprehensive numerical analysis including complete process sequence, namely filling, packing, cooling and warpage. Parametric studies are conducted to optimize the manufacturing process for minimal warpage (or shrinkage) in the produced part. The selected process parameters for the parametric study include cooling time, packing pressure, and mold temperature, all of which directly impact the quality of the manufactured parts. The optimal values obtained for these parameters are compared to examine the effect fiber reinforcement has on the manufacturing process.

Garg, Nikhil↗

Dataset for manuscript "Consequences of the failure of equipartition for the p-V behavior of liquid water and the hydration free energy components of a small protein"

Previously, we showed that in the molecular dynamics simulation of a rigid model of water it is necessary to use an integration time-step dt that is less than or equal to 0.5 fs to ensure equipartition between translational and rotational modes. We extended that study in the NVT ensemble to NpT conditions and to an aqueous protein. We study neat liquid water with the rigid, SPC/E model and the protein BBA (PDB ID: 1FME) solvated in the rigid, TIP3P model. We examined integration time-steps ranging from 0.5 fs to 4.0 fs for various thermostat plus barostat combinations. We find that a small time-step, dt, is necessary to ensure consistent prediction of the simulation volume. Hydrogen mass repartitioning alleviates the problem somewhat, but is ineffective for the typical time-step used with this approach. The compressibility, a measure of volume fluctuations, is seen to be sensitive to dt. Using the mean volume estimated from the NpT simulation, we examined the electrostatic and van der Waals contribution to the hydration free energy of the protein in the NVT ensemble. These contributions are also sensitive to dt. In going from a time-step of 2 fs to a time-step of 0.5 fs, the change in the net electrostatic plus van der Waals contribution to the hydration of BBA is already in excess of the folding free energy reported for this protein. The data-set contains the simulation metadata and log files that support the claims noted above.

59 BASIC BIOLOGICAL SCIENCES↗

Effects of soil particles and convective transport on dispersion and aggregation of nanoplastics via small-angle neutron scattering (SANS) and ultra SANS (USANS)

Terrestrial nanoplastics (NPs) pose a serious threat to agricultural food production systems due to the potential harm of soil-born micro- and macroorganisms that promote soil fertility and ability of NPs to adsorb onto and penetrate into vegetables and other crops. Very little is known about the dispersion, fate and transport of NPs in soils. This is because of the challenges of analyzing terrestrial NPs by conventional microscopic techniques due to the low concentrations of NPs and absence of optical transparency in these systems. Herein, we investigate the potential utility of small-angle neutron scattering (SANS) and Ultra SANS (USANS) to probe the agglomeration behavior of NPs prepared from polybutyrate adipate terephthalate, a prominent biodegradable plastic used in agricultural mulching, in the presence of vermiculite, an artificial soil. SANS with the contrast matching technique was used to study the aggregation of NPs co-dispersed with vermiculite in aqueous media. We determined the contrast match point for vermiculite was 66% D 2 O / 33% H 2 O. At this condition, the signal for vermiculite was ~50–100%-fold lower that obtained using neat H 2 O or D 2 O as solvent. According to SANS and USANS, smaller-sized NPs (50 nm) remained dispersed in water and did not undergo size reduction or self-agglomeration, nor formed agglomerates with vermiculite. Larger-sized NPs (300–1000 nm) formed self-agglomerates and agglomerates with vermiculite, demonstrating their significant adhesion with soil. However, employment of convective transport (simulated by ex situ stirring of the slurries prior to SANS and USANS analyses) reduced the self-agglomeration, demonstrating weak NP-NP interactions. Convective transport also led to size reduction of the larger-sized NPs. Therefore, this study demonstrates the potential utility of SANS and USANS with contrast matching technique for investigating behavior of terrestrial NPs in complex soil systems.

59 BASIC BIOLOGICAL SCIENCES↗

Identification and time evolution of thionyl chloride (SOCl 2 ) radiolysis products

In this study, innovative solutions are needed to reduce the amount of high-level waste generated by used nuclear fuel recycling strategies to support the widespread adoption of sustainable nuclear fission energy technologies. To this end, a new sulfur chloride-based process has been developed to recycle zirconium alloy-based materials, which make up a significant fraction of high-level radioactive waste. To support the continued development of this process, we present new data on the potential reaction pathways over time of the products arising from the gamma and electron beam radiolysis of neat thionyl chloride (SOCl 2 ). Interrogation of the gamma irradiated liquid by Raman spectroscopy provided more conclusive identification of the SOCl 2 degradation products, specifically sulfur dichloride (SCl 2 ), molecular chlorine (Cl 2 ), sulfur dioxide (SO 2 ), and sulfuryl chloride (SO 2 Cl 2 ). In comparison, the high dose rate (~10 7 Gy s -1 ) electron beam irradiations formed significantly more degradation products. For both cobalt-60 gamma and electron beam irradiations, the observed degradation products were found to evolve as a function of time post-irradiation via the same reaction pathways, with indication of a solvent regeneration mechanism. These findings are fortuitous for process development, as such a mechanism would be beneficial for process longevity and cost effectiveness.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Assessment of BQ-9000 Biodiesel Properties for 2019

This is the third report in the series documenting the annual quality of neat biodiesel (B100) produced and sold in the United States in 2019. Only companies that participate in the industry voluntary quality program, BQ-9000. Each company that agreed to participate, voluntarily provided monthly data to a third-party group. This third-party group of industry experts removed any identifying information and randomized the data prior to providing to the National Renewable Energy Laboratory (NREL) for statistical analysis.

33 ADVANCED PROPULSION SYSTEMS↗

Sustainable Functional Epoxies through Boric Acid Templating

Thermoset polymers (e.g. epoxies, vulcanizable rubbers, polyurethanes, etc.) are crosslinked materials with excellent thermal, chemical, and mechanical stability; these properties make thermoset materials attractive for use in harsh applications and environments. Unfortunately, material robustness means that these materials persist in the environment with very slow degradation over long periods of time. Balancing the benefits of material performance with sustainability is a challenge in need of novel solutions. Here, we aimed to address this challenge by incorporating boronic acid-amine complexes into epoxy thermoset chemistries, facilitating degradation of the material under pH neutral to alkaline conditions; in this scenario, water acts as an initiator to remove boron species, creating a porous structure with an enhanced surface area that makes the material more amenable to environmental degradation. Furthermore, the expulsion of the boron leaves the residual pores rich in amines which can be exploited for CO 2 absorption or other functionalization. We demonstrated the formation of novel boron species from neat mixing of amine compounds with boric acid, including one complex that appears highly stable under nitrogen atmosphere up to 600 °C. While degradation of the materials under static, alkaline conditions (our “trigger”) was inconclusive at the time of this writing, dynamic conditions appeared more promising. Additionally, we showed that increasing boronic acid content created materials more resistant to thermal degradation, thus improving performance under typical high temperature use conditions.

36 MATERIALS SCIENCE↗

Development of Large Scale Extrusion Deposition for Structural Applications

Large Scale Extrusion Deposition (LSED) is an evolving additive manufacturing (AM) technology that research, such as that taking place at Oak Ridge National Laboratory (ORNL) and companies like Local Motors, are continuing to utilize and develop new applications. A major LSED application of interest has been molds and tooling as it allows for much shorter production time and lower cost. However, interest has been expanding into using LSED for more structural applications due to more frequent use of high performing polymer composites as feedstock. The use of LSED for structural applications is of particular interest to Local Motors as it is currently being used to create commercially viable, energy efficient electric vehicles. LSED offers a unique opportunity when compared to traditional manufacturing methods as it can significantly reduce the number of components necessary, while decreasing embodied energy and carbon emissions. Even with these benefits however, it is important that LSED is properly understood from a structural aspect as this field has not been as heavily researched as tooling. To ensure a high level of safety and repeatability is an essential responsibility of a manufacturer whose products are structural in nature. As such it is important to understand the materials and LSED process to make structural objects that the manufacturer can be confident in. The main goals of this project were to: develop and investigate materials that are of interest for structural LSED applications, further develop and understand the current machines used in LSED and develop simulations tools of LSED and the mechanical properties of the created structure. Material development focused on composite materials that have high mechanical properties and are stable in a variety of environments. The materials were tested to determine their as printed mechanical and thermal properties as these are necessary for simulations. Once the materials were investigated thoroughly, it allowed for simulations to be performed to compare to experimental data with simulations. Materials were also vetted to determine candidates for multi-material printing. The machine development focused around the areas of process monitoring, non-destructive evaluation, and quality control. Finally, the goal of the simulations was to develop a realistic model of printed structures, including in-process simulation and dynamic simulation. The routes to get to some of these goals and the depth in which they were investigated changed throughout the project due to personnel changes and the COVID-19 pandemic. This project resulted in many valuable results such as the development of an nondestructive evaluation (NDE) technique for interlayer defects, proof of simulation for warpage in simple parts, the development and utilization of a profilometer to monitor a print for defects or inconsistencies, thorough investigation of a material used commercially for structural LSED applications and valuable experimental data on the applicability and advantages of multi-material crush structures versus their neat counterparts by creation and testing of samples.

36 MATERIALS SCIENCE↗

Next Generation Fiber-Encapsulated Nanoscale Hybrid Materials for Direct Air Capture with Selective Water Rejection

Recently, NOHMs sorbents have been demonstrated to be highly stable and tunable for CO2 capture and have negligible vapor pressure, but their main drawbacks are high viscosity and high gas transfer limitation in their neat bulk phase. This project explored gas-assisted electrospinning processing coupled with promising encapsulation matrices such as Polymers with Intrinsic Microporosity (PIM-1) and polyacrylonitrile (PAN)/organopolysilizane (OPSZ) polymer/ceramic hybrid materials, which were demonstrated to be effective novel carriers for the active NOHMs sorbents. These encapsulation materials were evaluated by their thermal stability, hydrophobicity, permeability, and CO2 selectivity. The manufacturing parameters such as component composition and processing solvent were linked to bulk sorbent properties, e.g., surface area, pore volume, fiber thickness, capture capacity, capture kinetics, etc. These investigations resulted in fundamental knowledge and technical know-how that will be useful for scaling up the nanofiber mat contactor design. The encapsulation materials and design has been shown to not only increase the thermal oxidative stability of the NOHMs, but also yield significantly reduced pressure drop and increased performance of large modular air filters. 70 PAN: 30 OPSZ/NIPEI fibers exhibited the highest capture performance with 1.5 mmol CO2/g∙h kinetics the first hour under 100% CO2 condition, followed by 80 PAN: 20 OPSZ/NIPEI and 90 PAN: 10 OPSZ/NIPEI, while 90 PAN: 10 OPSZ/NIPEI fibers performed the best with 0.25 mmol CO2/g∙h of the initial kinetics under 400 ppm CO2 concentration. All the fabricated fibers demonstrated stable capture performances up to 15 cycles of adsorption and desorption. Using encapsulated NOHMs, the study found that the microwave could help regenerate the capture materials within 20 minutes without chemically degrading the materials. A high-level TEA/LCA study was performed to evaluate the feasibility of this technology at scale. These estimates show that the sorbent cost and environmental impact levels are comparable to other existing technologies. Overall, these findings increase the technological feasibility of using liquid-like, low vapor pressure NOHMs as a next generation sorbent for the direct air capture of CO2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Elucidation of the Reaction Mechanisms of Autooxidative Processes in Complex Condensed-Phase Mixtures

In this report, we discuss the oxidative processes of gasoline surrogate fuels comprised of a neat olefin, such as 1-hexene. Oxidative reactions are thought to involve the peroxyl radical and peroxide chemistry with initial hydrogen abstraction by O 2 , followed by addition of O 2 or HOO· to the hydrocarbon to form unstable peroxy radicals and peroxides that result in a chain reaction. In the condensed phase environment (liquid), we also consider polymeric-forming chain reactions, such as hydrocarbon radical-radical carbon chain growth. We present our experimental results showing the reaction products resulting from 1-hexene oxidation, along with chemical kinetic modeling of the system showing product ratios as a function of time. Applicability of our observations to oxidation-promoted fouling in hydrocarbon fuels (i.e., formation of gum) and radical-promoted polymerizations will also be discussed.

10 SYNTHETIC FUELS↗

Fuel Cell Membrane Electrode Assemblies with Ultra-Low Pt Nanofiber Electrodes (Final Report)

H 2 /air fuel cell membrane-electrode-assemblies (MEAs) were fabricated with electrospun particle/polymer nanofiber mat cathodes (0.1 mg Pt /cm 2 or 0.2 mg Pt /cm 2 Pt/C, PtCo/C or PtNi/C) and anodes (0.1 mg/cm 2 Pt/C), where the binder was a mixture of acid-form perfluorosulfonic acid ionomer (e.g., Nafion™) and poly(acrylic acid) (PAA) carrier polymer or sodium-form PFSA with a carrier polymer of either PAA or polyethylene oxide (PEO). For the latter two cases, the water-soluble carrier was removed from the fibers after electrospinning. MEAs with Pt/C anode/cathode catalyst loadings of 0.1 mg Pt /cm2 each, an 1100 EW PFSA binder (Nafion™ dispersion), and a Nafion 211 membrane produced high power at both high and low relative humidity (RH) conditions, e.g., a maximum power density of 919 mW/cm 2 at 100% RH and 832 mW/cm 2 at 40% RH for a test at 80 °C and 200 kPa abs . The high power at low RH was attributed to nm-size pores within the fibers that trap water via capillary condensation thus maintaining a high proton conductivity of the PFSA binder in the cathode and especially the anode while minimizing/eliminating ionic isolation of catalyst particles in low water content, poorly conductive binder. At the same time, micro-porosity between fibers in the cathode allows for fast removal of electrogenerated water, thus minimizing cathode flooding. Nanofiber MEAs with Pt alloy catalyst cathodes also performed well, where a fibrous PtCo/C catalyst cathode at a loading of 0.1 mg/cm 2 produced 20% more power than a conventional powder cathode MEA, e.g., a maximum power density of 1,045 mW/cm 2 vs. 869 mW/cm 2 at 80 °C, 100% RH, and 200 kPa abs , and a PtNi/C fiber cathode MEAs prepared with Na+-form Nafion + PEO generated a maximum power of 820 mW/cm 2 at 40% RH. Fiber electrode MEAs with a neat Nafion binder (prepared from Na+-form Nafion + PEO or PAA) where the cathode Pt loading was ~0.1 mg/cm 2 exhibited a 25% loss in maximum power at 30,000 metal dissolution cycles, as compared to a 12% loss when the cathode binder was H+-form Nafion + PAA. The performance of a fiber mat electrode MEA with Pt/C catalyst (0.2 mg/cm 2 cathode loading and 0.1 mg/cm 2 anode loading) was excellent. At 80 oC and 200 kPa abs , the maximum power density was 1104 mW/cm 2 . The maximum power was independent of feed gas humidity for 40 < RH < 100%. The power loss after a metal dissolution AST (30,000 voltage cycles) was only 13%.

08 HYDROGEN↗

County Land-Use Regulations for Solar Energy Development in Colorado

We present a survey of county-level policies on ground-mounted solar development across Colorado, including both solar-specific ordinances as well as general land-use code that might be applicable in counties without solar-specific policies. This report provides an accessible reference for stakeholders interested in identifying counties with particular regulations or in analyzing the diversity of regulations across Colorado. We defined a set of search criteria to find information on solar definitions and classifications, permitting processes, and use-specific requirements in each of Colorado's 64 counties. With those criteria, we reviewed relevant ordinances, land-use code, and comprehensive and master plans. If any uncertainties were identified, we contacted county officials for clarification. The findings are categorized and mapped to illustrate the distribution of key policies adopted across Colorado's counties on the following topics: solar definitions, solar siting policy documentation, categorization of PV systems for permitting, 1041 permitting, solar on agricultural land, panel height restrictions, fencing requirements, vegetation management, visual impacts, decommissioning plans, and financial assurance for decommissioning. Additionally, we identify and discuss policies that might impact the deployment of agrivoltaics, a dual land use combining both agriculture and solar on the same land, which might not fit neatly in existing zoning definitions and solar-specific regulations.

14 SOLAR ENERGY↗

Impact of Radiolysis on Iodine Speciation in a Variety of Matrices

This report details the work conducted in fiscal year 2023 with the aim of providing a better understanding of the speciation of iodine in support of domestic 99 Mo production Shine who uses a sulfate matrix in their process. Laboratory experiments to study the behavior of iodine speciation were conducted using spectroscopic methods including UV-vis and Raman as well as electrochemical studies. Radiolysis occurring in solution presents a unique challenge that is largely unaddressed with thermodynamic modeling, therefore a kinetic model was developed to address these issues. The focus of the studies conducted this year used surrogate radiolytic conditions induced by hydrogen peroxide for comparison to radiolytic conditions from direct gamma irradiation and neat acid solutions. For each case a model incorporating the kinetics was used to predict iodine speciation in the defined conditions where the output was directly compared to the experimental conditions. Further modeling was conducted incorporating the process conditions that are specific to Shine with incorporation of radiolysis and gas sparging.

07 ISOTOPE AND RADIATION SOURCES↗

Research, Development and Demonstration of Advanced Vehicle Technologies in Clean Motor Fuels (CRADA Final Report)

NREL/DOE has been funding research, development, and demonstration (RD&D) projects to facilitate the deployment of alternative fuels into the marketplace in order to achieve three objectives: 1) enhance the reduction of mobile source emissions in California and the U.S.; 2) increase U.S. competitiveness and economic prosperity; and 3) preserve the environment through the reduction of emissions and toxins from the motor vehicle population. The Lewis-Presley Air Quality Management Act requires the South Coast Air Quality Management District to establish a program to encourage participation in projects to increase the utilization of clean-burning fuels. The parties seek to collaborate on a joint RD&D project to perform a field test on a small vehicle fleet operating on Fischer-Tropsch synthetic diesel fuel. Recently the 106th U.S. Congress designated "gas-to-liquid" (GTL) transportation fuels that are produced from domestic products as alternative fuels under the Energy Policy Act of 1992 (EPACT). Niche markets could develop quickly for these fuel products, perhaps especially for the use of Fischer-Tropsch synthetic fuels in centrally fueled vehicle fleets in California. NREL and its project partners from the U.S. Department of Energy and West Virginia University have recently conducted what we believe to be the first-ever controlled tests of Fischer-Tropsch synthetic fuels in heavy vehicles. These tests have shown that Fischer-Tropsch fuels can be substituted in unmodified trucks and buses without any detectable loss in drivability and performance. Compared to a California diesel fuel baseline, neat Shell Fischer-Tropsch fuel emitted about 12% lower NOx and 24% lower particulate matter over a five-mile driving route while maintaining the same fuel economy on an energy equivalent basis. Whereas these exhaust emissions reductions from these previous studies have been impressive, far greater exhaust emissions reductions can be achieved if the vehicles are retrofitted with emissions control technologies that are enabled by Fischer-Tropsch fuels. For this program, a test fleet would be selected and retrofitted with continuously regenerating traps (CRT’s) or diesel particulate filters (DPF's). The University of West Virginia, under a separate subcontract to SCAQMD will have the responsibility to test and measure the emissions from the test fleet of vehicles.

33 ADVANCED PROPULSION SYSTEMS↗