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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Raw_data_Batch_I: Garfield Ridge

Date of collection: May 4, 2023 Location: Garfield Ridge, Chicago, IL This data set contains lidar and vision data collected in Garfield Ridge, Chicago. The vehicle started from the intersection of Garfield Ridge and S. Harlem, headed east until S. Central Ave. The vehicle headed south along S. Central Ave. until West 60th Street, headed west, and turned north along S. Austin Ave. until it turned west onto W. 59th Street. The vehicle then headed north along S. Harlem Ave. and returned to the intersection of Garfield Ridge and S. Harlem. The data contains the following Robot Operating System (ROS) topics: - /Central_Camera_blurred – Image flow from coaxial camera heading, vehicle front. - /Left_Camera_blurred – Image flow from left camera, 60° from central camera on the left side. - /Right_Camera_blurred – Image flow from right camera, 60° from central camera on the right side. - /camera0/camera_info – Intrinsic and distortion information of left camera. - /camera0/projection_matrix – Extrinsic matrix of left camera from lidar. - /camera2/camera_info – Intrinsic and distortion information of central camera. - /camera2/projection_matrix – Extrinsic matrix of central camera from lidar. - /camera5/camera_info – Intrinsic and distortion information of right camera. - /camera5/projection_matrix – Extrinsic matrix of right camera from lidar. - /novatel/oem7/bestpos – Latitude, longitude, and elevation information from NovAtel GNSS-INS system. - /points_raw – VLP-32 lidar point cloud. - /tf – Vehicle base frame. The data are organized into a data description file and one or more ROS .bag files, dependent on original file size. The data description file provides information about the data collection date, location, and detailed mapping, while the .bag file(s) contain the actual data. Please note that for the purpose of securing personally identifiable information, all license plates and faces included in this publication have been intentionally blurred during real-time processing. ![garfield ridge image](garfield-ridge.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Oxygen isotope ratios in zircon and garnet: A record of assimilation and fractional crystallization in the Dinkey Dome peraluminous granite, Sierra Nevada, California

Abstract The 119 Ma Dinkey Dome pluton in the central Sierra Nevada Batholith is a peraluminous granite and contains magmatic garnet and zircon that are complexly zoned with respect to oxygen isotope ratios. Intracrystalline SIMS analysis tests the relative importance of magmatic differentiation processes vs. partial melting of metasedimentary rocks. Whereas δ18O values of bulk zircon concentrates are uniform across the entire pluton (7.7‰ VSMOW), zircon crystals are zoned in δ18O by up to 1.8‰, and when compared to late garnet, show evidence of changing magma chemistry during multiple interactions of the magma with wall rock during crustal transit. The evolution from an early high-δ18O magma [δ18O(WR) = 9.8‰] toward lower values is shown by high-δ18O zircon cores (7.8‰) and lower δ 18O rims (6.8‰). Garnets from the northwest side of the pluton show a final increase in δ18O with rims reaching 8.1‰. In situ REE measurements show zircon is magmatic and grew before garnets. Additionally, δ18O in garnets from the western side of the pluton are consistently higher (avg = 7.3‰) relative to the west (avg = 5.9‰). These δ18O variations in zircon and garnet record different stages of assimilation and fractional crystallization whereby an initially high-δ18O magma partially melted low-δ18O wallrock and was subsequently contaminated near the current level of emplacement by higher δ18O melts. Collectively, the comparison of δ18O zoning in garnet and zircon shows how a peraluminous pluton can be constructed from multiple batches of variably contaminated melts, especially in early stages of arc magmatism where magmas encounter significant heterogeneity of wall-rock assemblages. Collectively, peraluminous magmas in the Sierran arc are limited to small <100 km2 plutons that are intimately associated with metasedimentary wall rocks and often surrounded by later and larger metaluminous tonalite and granodiorite plutons. The general associations suggest that early-stage arc magmas sample crustal heterogeneities in small melt batches, but that with progressive invigoration of the arc, such compositions are more effectively blended with mantle melts in source regions. Thus, peraluminous magmas provide important details of the nascent Sierran arc and pre-batholithic crustal structure.

Geochemistry & Geophysics↗
DOE OSTI2015

Microbiological-enhanced mixing across scales during in-situ bioreduction of metals and radionuclides at Department of Energy Sites

Bioreduction is being actively investigated as an effective strategy for subsurface remediation and long-term management of DOE sites contaminated by metals and radionuclides (i.e. U(VI)). These strategies require manipulation of the subsurface, usually through injection of chemicals (e.g., electron donor) which mix at varying scales with the contaminant to stimulate metal reducing bacteria. There is evidence from DOE field experiments suggesting that mixing limitations of substrates at all scales may affect biological growth and activity for U(VI) reduction. Although current conceptual models hold that biomass growth and reduction activity is limited by physical mixing processes, a growing body of literature suggests that reaction could be enhanced by cell-to-cell interaction occurring over length scales extending tens to thousands of microns. Our project investigated two potential mechanisms of enhanced electron transfer. The first is the formation of single- or multiple-species biofilms that transport electrons via direct electrical connection such as conductive pili (i.e. ‘nanowires’) through biofilms to where the electron acceptor is available. The second is through diffusion of electron carriers from syntrophic bacteria to dissimilatory metal reducing bacteria (DMRB). The specific objectives of this work are (i) to quantify the extent and rate that electrons are transported between microorganisms in physical mixing zones between an electron donor and electron acceptor (e.g. U(IV)), (ii) to quantify the extent that biomass growth and reaction are enhanced by interspecies electron transport, and (iii) to integrate mixing across scales (e.g., microscopic scale of electron transfer and macroscopic scale of diffusion) in an integrated numerical model to quantify these mechanisms on overall U(VI) reduction rates. We tested these hypotheses with five tasks that integrate microbiological experiments, unique micro-fluidics experiments, flow cell experiments, and multi-scale numerical models. Continuous fed-batch reactors were used to derive kinetic parameters for DMRB, and to develop an enrichment culture for elucidation of syntrophic relationships in a complex microbial community. Pore and continuum scale experiments using microfluidic and bench top flow cells were used to evaluate the impact of cell-to-cell and microbial interactions on reaction enhancement in mixing-limited bioactive zones, and the mechanisms of this interaction. Some of the microfluidic experiments were used to develop and test models that considers direct cell-to-cell interactions during metal reduction. Pore scale models were incorporated into a multi-scale hybrid modeling framework that combines pore scale modeling at the reaction interface with continuum scale modeling. New computational frameworks for combining continuum and pore-scale models were also developed

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2012

I/O Performance Characterization of Lustre and NASA Applications on Pleiades

In this paper we study the performance of the Lustre file system using five scientific and engineering applications representative of NASA workload on large-scale supercomputing systems such as NASA s Pleiades. In order to facilitate the collection of Lustre performance metrics, we have developed a software tool that exports a wide variety of client and server-side metrics using SGI's Performance Co-Pilot (PCP), and generates a human readable report on key metrics at the end of a batch job. These performance metrics are (a) amount of data read and written, (b) number of files opened and closed, and (c) remote procedure call (RPC) size distribution (4 KB to 1024 KB, in powers of 2) for I/O operations. RPC size distribution measures the efficiency of the Lustre client and can pinpoint problems such as small write sizes, disk fragmentation, etc. These extracted statistics are useful in determining the I/O pattern of the application and can assist in identifying possible improvements for users applications. Information on the number of file operations enables a scientist to optimize the I/O performance of their applications. Amount of I/O data helps users choose the optimal stripe size and stripe count to enhance I/O performance. In this paper, we demonstrate the usefulness of this tool on Pleiades for five production quality NASA scientific and engineering applications. We compare the latency of read and write operations under Lustre to that with NFS by tracing system calls and signals. We also investigate the read and write policies and study the effect of page cache size on I/O operations. We examine the performance impact of Lustre stripe size and stripe count along with performance evaluation of file per process and single shared file accessed by all the processes for NASA workload using parameterized IOR benchmark.

Saini, Subhash↗
DOE OSTI2016

Removal of malachite green dye from aqueous solution using mesoporous silica synthesized from 1-octyl-3-methylimidazolium chloride ionic liquid

In this research, mesoporous silica was synthesized via a modified sol-gel route using 1-octyl-3-methylimidazolium chloride and was employed to remove malachite green (MG) dye from aqueous solution. Subsequently, this material was characterized and identified by different techniques such as Fourier transform infrared spectroscopy (FT-IR), N{sub 2} adsorption-desorption method, scanning electron microscopy (SEM), and thermosgravimetric analysis (TGA). Unique properties such as high surface area and pore diameter, in addition to highly reactive atoms and presence of various functional groups make the mesoporous silica possible for efficient removal of malachite green (MG). In batch experimental set-up, optimum conditions for quantitative removal of MG by mesoporous silica was attained by varying different variables such as adsorbent dosage, initial dye concentration, contact time, and pH. Optimum values were set as pH of 8.0, 0.5 g of adsorbent at contact time of 120 min. The adsorption of MG follows the pseudo-second-order rate equation. Equilibrium data fitted well with the Freundlich model at all amount of adsorbent, while maximum adsorption capacity was 5.981 mg g{sup −}1 for 0.5 g mesoporous silica synthesized in IL.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

Despite an abundance of online databases providing access to chemical data, there is increasing demand for highquality, structure-curated, open data to meet the various needs of the environmental sciences and computational toxicology communities. The U.S. Environmental Protection Agency’s (EPA) web-based CompTox Chemistry Dashboard is addressing these needs by integrating diverse types of relevant domain data through a cheminformatics layer, built upon a database of curated substances linked to chemical structures. These data include physicochemical, environmental fate and transport, exposure, usage, in vivo toxicity, and in vitro bioassay data, surfaced through an integration hub with link-outs to additional EPA data and public domain online resources. Batch searching allows for direct chemical identifer (ID) mapping and downloading of multiple data streams in several diferent formats. This facilitates fast access to available structure, property, toxicity, and bioassay data for collections of chemicals (hundreds to thousands at a time). Advanced search capabilities are available to support, for example, non-targeted analysis and identifcation of chemicals using mass spectrometry. The contents of the chemistry database, presently containing ~ 760,000 substances, are available as public domain data for download. The chemistry content underpinning the Dashboard has been aggregated over the past 15 years by both manual and auto-curation techniques within EPA’s DSSTox project. DSSTox chemical content is subject to strict quality controls to enforce consistency among chemical substance-structure identifers, as well as list curation review to ensure accurate linkages of DSSTox substances to chemical lists and associated data. The Dashboard, publicly launched in April 2016, has expanded considerably in content and user trafc over the past year. It is continuously evolving with the growth of DSSTox into high-interest or data-rich domains of interest to EPA, such as chemicals on the Toxic Substances Control Act listing, while providing the user community with a fexible and dynamic web-based platform for integration, processing, visualization and delivery of data and resources. The Dashboard provides support for a broad array of research and regulatory programs across the worldwide community of toxicologists and environmental scientists.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Continued Evaluation of the Use of a Raman Spectrometer for H-Canyon Dissolver Monitoring

Remote monitoring of dissolver activities in H-Canyon can help operators avoid delays associated with excessive levels of fuel fragments remaining after a run. SRNL has proposed that effective monitoring can be achieved by using a Raman spectrometer to measure NO 2 concentrations in the offgas stream sampled from the facility stack. Prior work (SRNL-STI-2021-00451) measuring the offgas from one dissolution batch of High Flux Isotope Reactor (HFIR) fuel suggested a relationship between %NO 2 levels and fragment height. Herein, we report the results of monitoring and analysis of the dissolution of four batches of Material Test Reactor (MTR) fuel. A rigorous quantitative relationship between %NO 2 measurements and fragment heights could not be established, due to high uncertainties associated with both measurements. Uncertainties with gas measurements are associated with the %NO 2 levels in the offgas being close to the detection limit for the analyzer. Alternative gas measurement strategies are discussed which could improve sensitivity and reduce uncertainty. Limitations to the precision of the probe measurements are also discussed. It is also noted that the offgas is an average of the products from simultaneous dissolution of elements in multiple wells. Detection of a high fragment height level in an individual well may be hindered by low levels in other wells.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Desorption of plutonium from montmorillonite: An experimental and modeling study

Desorption of plutonium (Pu) will likely control the extent to which it is transported by mineral colloids. In this article, we evaluated the adsorption/desorption behavior of Pu on SWy-1 montmorillonite colloids at pH 4, pH 6, and pH 8 using batch adsorption and flow cell desorption experiments. After 21 days adsorption, Pu(IV) affinity for montmorillonite displayed a pH dependency, with K d values highest at pH 4 and lowest at pH 8. The pH 8 experiment was further allowed to equilibrate for 6 months and showed an increase in K d , indicating that true sorption equilibrium was not achieved within the first 21 days. For the desorption experiments, aliquots of the sorption suspensions were placed in a flow cell, and Pu-free solutions were then pumped through the cell for a period of 12 days. Changes in influent solution flow rate were used to investigate the kinetics of Pu desorption and demonstrated that it was rate-limited over the experimental timescales. At the end of the 12-day flow cell experiments, the extent of desorption was again pH dependent, with pH 8 > pH 6 > pH 4. Further, at pH 8, less Pu was desorbed after an adsorption contact time of 6 months than after a contact time of 21 days, consistent with an aging of Pu on the clay surface. In addition, a conceptual model for Pu adsorption/desorption that incorporated known surface-mediated Pu redox reactions was used to fit the experimental data. The resulting rate constants indicated processes occurring on timescales of months and even years which may, in part, explain observations of clay colloid-facilitated Pu transport on decadal timescales. Importantly, however, our results also imply that migration of Pu adsorbed to montmorillonite colloids at long (50–100 year) timescales under oxic conditions may not be possible without considering additional phenomena, such as co-precipitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

All-Inorganic Open-Framework Chalcogenides, A 3 Ga 5 S 9 · x H 2 O ( A = Rb and Cs), Exhibiting Ultrafast Uranyl Remediation and Illustrating a Novel Post-Synthetic Preparation of Open-Framework Oxychalcogenides

Fast and effective uranyl sequestration is of interest to the nuclear industry. Recently layered chalcogenide materials have demonstrated fast, selective, and efficient sorption properties towards uranyl cations and the development and investigation of new types of chalcogenide materials continues to be of interest and represents an intriguing option for uranyl remediation. Three new all-inorganic A 3 Ga 5 S 9 ·xH 2 O (A = Rb, Rb/Cs, and Cs) open-framework chalcogenides were obtained via an in-situ alkali carbonate to alkali sulfide conversion process achieved under mild hydrothermal conditions. The structures of the all-inorganic open framework chalcogenides consist of a 2-fold interpenetrated diamond-like 3D framework containing pseudo-T 3 [Ga 10 S 20 ] 10– supertetrahedra. 48% of the structural volume is occupied by A + cations and water species, as established by single-crystal X-ray diffraction (SCXRD), infrared (IR) and energy-dispersive (EDS) spectroscopies. The dynamic nature of the A + cations and water molecules within the pores was investigated via single crystal X-ray diffraction as well as by IR spectroscopy monitored H 2 O to D 2 O exchange experiments. Framework stability was probed with post-synthetic treatment of A 3 Ga 5 S 9 ·xH 2 O (A = Rb and Cs) samples in acidic solutions that resulted in the formation of the oxysulfide (A/H) 3 Ga 5 S 9–y O y ·xH 2 O (A = Rb and Cs; y = 0–1), as shown by SCXRD and IR. Ion-exchange studies on A 3 Ga 5 S 9 ·xH 2 O (A = Rb and Cs) samples were carried out utilizing a uranyl acetate solution. The presence of the UO 2 2+ species in the ion-exchanged product was supported by IR and EDS spectroscopies. Batch method ion-exchange experiments on Cs 3 Ga 5 S 9 ·xH 2 O powder demonstrated fast kinetics with 95% uranyl removal from the uranyl acetate solution during the first minute, a maximum uranyl uptake capacity of 15mg/g, and the subsequent elution of uranyl species with KCl solution. Furthermore, the porous and dynamic nature of the A 3 Ga 5 S 9 ·xH 2 O framework coupled with effective UO 2 2+ ···S 2– bonding interactions makes it a good potential sorbent for uranyl remediation from aqueous media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Towards a Comprehensive Computational Simulation System for Turbomachinery

The objective of this work is to develop algorithms associated with a comprehensive computational simulation system for turbomachinery flow fields. This development is accomplished in a modular fashion. These modules includes grid generation, visualization, network, simulation, toolbox, and flow modules. An interactive grid generation module is customized to facilitate the grid generation process associated with complicated turbomachinery configurations. With its user-friendly graphical user interface, the user may interactively manipulate the default settings to obtain a quality grid within a fraction of time that is usually required for building a grid about the same geometry with a general-purpose grid generation code. Non-Uniform Rational B-Spline formulations are utilized in the algorithm to maintain geometry fidelity while redistributing grid points on the solid surfaces. Bezier curve formulation is used to allow interactive construction of inner boundaries. It is also utilized to allow interactive point distribution. Cascade surfaces are transformed from three-dimensional surfaces of revolution into two-dimensional parametric planes for easy manipulation. Such a transformation allows these manipulated plane grids to be mapped to surfaces of revolution by any generatrix definition. A sophisticated visualization module is developed to al-low visualization for both grid and flow solution, steady or unsteady. A network module is built to allow data transferring in the heterogeneous environment. A flow module is integrated into this system, using an existing turbomachinery flow code. A simulation module is developed to combine the network, flow, and visualization module to achieve near real-time flow simulation about turbomachinery geometries. A toolbox module is developed to support the overall task. A batch version of the grid generation module is developed to allow portability and has been extended to allow dynamic grid generation for pitch changing turbomachinery configurations. Various applications with different characteristics are presented to demonstrate the success of this system.

Shih, Ming-Hsin↗
NASA NTRS2020

Design and Implementation of a Scenario Development Process for a 2040 Trajectory-Based Operations Simulation

The National Aeronautics and Space Administration (NASA) is supporting research to transition from a legacy, air traffic management (ATM) system to Trajectory-Based Operations (TBO) environment targeting the 2035-2045 timeframe by creating simulation scenarios for current and future studies. TBO in the National Airspace System (NAS) focuses on modernizing the current operating paradigm to increase efficiency, predictability, resilience, and flexibility while migrating toward greater operational autonomy across the airspace. These simulation scenarios offer a wide dissemination and use of system-level constraints and aircraft state/intent data, routine use of data communications to request complex trajectory modifications and to receive clearances, and aircraft that are flying on 4-D trajectories with flexibility when desired, but structure where required. This report describes the end-to-end development of scenarios for the NASA Langley Research Center simulation environment to represent a 2040 Trajectory-Based Operations airspace for air transport operations research.

Trajectory-Based Operations↗
DOE OSTI2020

Pyrolysis of Radioactive Spent Resins in the PRIME Installation - 20190

Montair and Belgoprocess developed the pilot PRIME (Pyrolysis Resins In Mobile Electric) Installation for treatment of spent resins in one single reactor without pre-treatment and without intermixing of other waste, allowing for easy traceability and isotopic characterization of the end product. Both low level waste (LLW, < 2 mSv/h) and medium level waste (MLW, > 2 mSv/h) can be treated in the installation. The PRIME pilot installation is designed to treat 2 batches of 100 liter of saturated ion exchange resins over a period of 24 hours. A dosing unit with screw feeder is used for the dosing of the saturated ion exchange resins to the pyrolysis reactor. This completely new developed innovative pyrolysis reactor contains a special design mechanical stirrer and can operate at a temperature of up to 600 deg. C under inert conditions. As a result, the organic molecules will decompose at an accelerated rate until only the mineralized material remains. The lower temperature and the absence of oxygen also prevent the breakdown of ion exchange resins into (powdery) ash, which is a considerable advantage during further handling. Gases that are released during drying and pyrolysis are treated in an also newly developed thermal oxidizer, which uses an innovative, electrically heated design instead of a traditional natural gas- or fuel oil secondary combustion chamber design. After passing through the thermal oxidizer, the gases are cooled down to saturation temperature and treated in the wet scrubbing system. An extraction fan keeps the system under negative pressure to prevent the possibility of any off-gas leakage out of the system. A series of tests were performed successfully with wet cationic resins, anionic resins and a mixture of both. The results of these tests are described in the presentation. For intellectual property protection, the system and process of pyrolysis of organic waste and the system of thermal oxidation of pyrolysis gases described in this paper are patent pending. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Method development for thermal analyses testing on Reillex HPQ resin using the advanced reactive system screening tool (ARSST)

Reillex™ HPQ resin was developed by Los Alamos Laboratory and Reilly Industries Inc. in an effort to increase safety and process efficiency during the recovery and purification of plutonium. Ionac™ A-641, another strong base macroporous anion exchange resin used in the nuclear industry, was known to undergo a runaway reaction in hot nitric acid solutions. Because of this, an extensive amount of thermal analyses testing on the Reillex™ HPQ resin in SRNL was performed in 1999-2001 prior to use. A report on the thermal stability qualification of the Reillex™ HPQ resin in 8M (35%) and 12M (53%) HNO 3 was reported in 2000. In 2001, the reactivity of Reillex™ HPQ resin in 14.4M (64%) HNO 3 was evaluated. In January of 2001, thermal stability scoping tests were performed on irradiated Reillex™ HPQ resin in 14.4M (64%) HNO 3 (as a worst case scenario) and the results sent to Fauske and Associates to calculate a rupture disk size for the HB-Line resin column. A technical report by Fauske and Associates was issued in February 2001 recommending a 2.0” vent line with a rupture disk set pressure of 60 psig. This calculation was based on ARSST thermal analyses scoping tests at SRNL in which 4 grams of dried resin and 6.0 grams of 64% nitric acid in a 10 gram test cell, produced a maximum pressure rate (dP/dt) of 720 psi/min (12 psi/sec) and a maximum temperature of 250 °C. In 2015, a new batch of Reillex™ HPQ resin was manufactured by Vertellus Industries. A test sample of the resin was sent to SRNL to perform acceptance and qualification thermal stability testing using the ARSST. During these tests, method development was performed to ensure that a representative resin to acid ratios were used while running the tests in the ARSST. Fauske and Associates recommended to either use a full test cell representative of the HB-Line column or a 10 gram sample in the test cell that was representative of the ratios of resin to nitric acid in the actual HB-Line column. An observation was made during method development testing that the 4 grams of resin to 6 grams of 64% acid ratio used in 2001 to determine the rupture disk size did not entirely wet the resin and was not representative of the actual HB-Line column. The results of this study raised questions as to whether the ratio of 4 grams of resin to 6 grams of 64% nitric acid recommended by Fauske and Associates in 2001 was the correct ratio.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluating the industrial potential of emerging biomass pretreatment technologies in bioethanol production and lipid recovery from transgenic sugarcane

The selection of pretreatment methods is critical to achieving high product yields during bioconversion of lignocellulosic biomass. Hydrothermal, soaking-in-aqueous ammonia, and ionic liquid pretreatment methods are viable candidates for minimizing sugar decomposition, permitting the effective hydrolysis of structural carbohydrates, and producing a fermentable substrate suitable for achieving industrial ethanol titers and yields. In this study, the effect of these three pretreatment methods on non-modified sugarcane cultivar CP88-1762 and two transgenic lipid-accumulating sugarcane lines, oilcane 1565 and oilcane 1566, were investigated and compared in terms of lipid recovery, sugar yield, and ethanol yields within the lignocellulosic biomass conversion pipeline. Fed-batch enzymatic hydrolysis at high solid loading yielded hydrolysates capable of supporting industrial bioethanol titers across all conditions. The highest sugar yields were obtained on ammonia-pretreated biomass hydrolysate (253.73 g L −1 ), followed by hydrothermally pretreated hydrolysate (213.10 g L −1 ) and ionic liquid-pretreated hydrolysate (154.20 g L −1 ). Commercially viable ethanol titers of 100.62 g L −1 , 64.47 g L −1 , and 52.95 g L −1 were achieved from ammonia, hydrothermal, and ionic liquid pretreated hydrolysate with the corresponding ethanol productivities of 2.08 g L −1 h −1 , 0.53 g L −1 h −1 , and 0.36 g L −1 h −1 . The lower acetic acid concentration in ammonia-pretreated hydrolysate may have enhanced its fermentability relative to the hydrothermal pretreatment condition, as indicated by the differences in ethanol titer and productivity. Lower sugar yields and ethanol productivities under the ionic liquid conditions likely resulted from the inhibitory effect of cholinium lysinate. Oilcane 1565 and oilcane 1566 bagasse accumulated over 16- and 3 times higher lipids than the non-modified sugarcane CP88-1762. The total fatty acid content in the oilcane samples was reduced in ammonia and ionic liquid-pretreated bagasse relative to the hydrothermal pretreatment condition. While all pretreatment techniques tested are industrially viable, the observed differences in titer, productivity, and lipid content indicate that careful selection and validation of upstream processing methods can contribute to improved economic and environmental outcomes.

09 BIOMASS FUELS↗
DOE OSTI2025

Data for "Evaluating the industrial potential of emerging biomass pretreatment technologies in bioethanol production and lipid recovery from transgenic sugarcane"

The selection of pretreatment methods is critical to achieving high product yields during bioconversion of lignocellulosic biomass. Hydrothermal, soaking-in-aqueous ammonia, and ionic liquid pretreatment methods are viable candidates for minimizing sugar decomposition, permitting the effective hydrolysis of structural carbohydrates, and producing a fermentable substrate suitable for achieving industrial ethanol titers and yields. In this study, the effect of these three pretreatment methods on non-modified sugarcane cultivar CP88-1762 and two transgenic lipid-accumulating sugarcane lines, oilcane 1565 and oilcane 1566, were investigated and compared in terms of lipid recovery, sugar yield, and ethanol yields within the lignocellulosic biomass conversion pipeline. Fed-batch enzymatic hydrolysis at high solid loading yielded hydrolysates capable of supporting industrial bioethanol titers across all conditions. The highest sugar yields were obtained on ammonia-pretreated biomass hydrolysate (253.73 g L−1), followed by hydrothermally pretreated hydrolysate (213.10 g L−1) and ionic liquid-pretreated hydrolysate (154.20 g L−1). Commercially viable ethanol titers of 100.62 g L−1, 64.47 g L−1, and 52.95 g L−1 were achieved from ammonia, hydrothermal, and ionic liquid pretreated hydrolysate with the corresponding ethanol productivities of 2.08 g L−1 h−1, 0.53 g L−1 h−1, and 0.36 g L−1 h−1. The lower acetic acid concentration in ammonia-pretreated hydrolysate may have enhanced its fermentability relative to the hydrothermal pretreatment condition, as indicated by the differences in ethanol titer and productivity. Lower sugar yields and ethanol productivities under the ionic liquid conditions likely resulted from the inhibitory effect of cholinium lysinate. Oilcane 1565 and oilcane 1566 bagasse accumulated over 16- and 3 times higher lipids than the non-modified sugarcane CP88-1762. The total fatty acid content in the oilcane samples was reduced in ammonia and ionic liquid-pretreated bagasse relative to the hydrothermal pretreatment condition. While all pretreatment techniques tested are industrially viable, the observed differences in titer, productivity, and lipid content indicate that careful selection and validation of upstream processing methods can contribute to improved economic and environmental outcomes.

biomass analytics↗
DOE OSTI2014

Chemical Composition and PCT Data for the Initial Set of Hanford Enhanced Waste Loading Glasses

In this report, the Savannah River National Laboratory provides chemical analyses and Product Consistency Test results for 20 simulated high level waste glasses fabricated by the Pacific Northwest National Laboratory. The results of these analyses will be used as part of efforts to revise or extend the validation ranges of the current Hanford Waste Treatment and Immobilization Plant glass property models to cover a broader span of waste compositions. The measured chemical composition data are reported and compared with the targeted values for each component for each glass. Two components of the study glasses, fluorine and silver, were not measured since each of these species would have required the use of an additional preparation method and their measured values were likely to be near or below analytical detection limits. Some of the glasses were difficult to prepare for chemical analysis. A sodium peroxide fusion dissolution method was successful in completely dissolving the glasses. Components present in the glasses in minor concentrations can be difficult to measure using this dissolution method due to dilution requirements. The use of a lithium metaborate preparation method for the minor components (planned for use since it is typically successful in digesting Defense Waste Processing Facility HLW glasses) resulted in an unacceptable amount of undissolved solids remaining in the sample solutions. An acid dissolution method was used instead, which provided more thorough dissolution of the glasses, although a small amount of undissolved material remained for some of the study glasses. The undissolved material was analyzed to determine those components of the glasses that did not fully dissolve. These components (e.g., calcium and chromium) were present in sufficient quantities to be reported from the measurements resulting from the sodium peroxide fusion preparation method, which did not leave undissolved material. Overall, the analyses resulted in sums of oxides that ranged from about 98 to 101.5 wt % for the study glasses, indicating excellent recovery of all the components in the chemical composition analyses. Comparisons of the targeted and measured chemical compositions indicated that, in general, the measured values for the glasses met the targeted concentrations. Exceptions were Cr 2 O 3 , MgO, and P 2 O 5 . The measured values for Cr 2 O 3 were somewhat low when compared to the targeted values for all of the study glasses targeting Cr 2 O 3 concentrations above 0.5 wt %. Many of the measured MgO and P 2 O 5 values were below the targeted values for those glasses that contained these components. Two of the study glasses exhibited differences from the targeted compositions that may indicate a batching error. Glasses EWG-HAI-Centroid-2 and EWG-OL-1672 had measured values for Al 2 O 3 and SiO 2 that were lower than the targeted values, and measured values for B 2 O 3 that were higher than the targeted values. Glass EWG-HAI-Centroid-2 also had a measured value for Fe 2 O 3 that was lower than the targeted value. A review of the PCT data, including standards and blanks, revealed no issues with the performance of the tests. The PCT results were normalized to both the targeted and measured compositions of the study glasses. Comparisons of the normalized PCT results for both the quenched and Canister Centerline Cooled versions of the study glasses are made with the Environmental Assessment benchmark glass for reference.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

CRISPR-mediated multigene integration enables Shikimate pathway refactoring for enhanced 2-phenylethanol biosynthesis in Kluyveromyces marxianus

Background: 2-phenylethanol (2-PE) is a rose-scented flavor and fragrance compound that is used in food, beverages, and personal care products. Compatibility with gasoline also makes it a potential biofuel or fuel additive. A biochemical process converting glucose or other fermentable sugars to 2-PE can potentially provide a more sustainable and economical production route than current methods that use chemical synthesis and/or isolation from plant material. Results: We work toward this goal by engineering the Shikimate and Ehrlich pathways in the stress-tolerant yeast Kluyveromyces marxianus. First, we develop a multigene integration tool that uses CRISPR-Cas9 induced breaks on the genome as a selection for the one-step integration of an insert that encodes one, two, or three gene expression cassettes. Integration of a 5-kbp insert containing three overexpression cassettes successfully occurs with an efficiency of 51 ± 9% at the ABZ1 locus and was used to create a library of K. marxianus CBS 6556 strains with refactored Shikimate pathway genes. The 3 3 -factorial library includes all combinations of KmARO4, KmARO7, and KmPHA2, each driven by three different promoters that span a wide expression range. Analysis of the refactored pathway library reveals that high expression of the tyrosine-deregulated KmARO4 K221L and native KmPHA2, with the medium expression of feedback insensitive KmARO7 G141S , results in the highest increase in 2-PE biosynthesis, producing 684 ± 73 mg/L. Ehrlich pathway engineering by overexpression of KmARO10 and disruption of KmEAT1 further increases 2-PE production to 766 ± 6 mg/L. The best strain achieves 1943 ± 63 mg/L 2-PE after 120 h fed-batch operation in shake flask cultures. Conclusions: The CRISPR-mediated multigene integration system expands the genome-editing toolset for K. marxianus, a promising multi-stress tolerant host for the biosynthesis of 2-PE and other aromatic compounds derived from the Shikimate pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Catalytic Upgrading of Ethanol to C8+ Distillate Range Ethers via Guerbet Coupling and Etherification

Guerbet coupling followed by etherification is a two step process for conversion of ethanol into distillate range molecules. This involves first alcohol oligomerization, followed by acid-catalyzed dehydration. As we will show in this presentation, ethanol can be converted to higher linear and α-branched alcohols by C-C coupling reactions (ethanol oligomerization) as well as to high molecular weight esters by C-O coupling reactions with Cu/MgxAlOy (CuHT) catalysts. Alcohols may be converted to ethers via bimolecular dehydration in a subsequent step. We have identified more than 160 number of species in the products including alcohols, esters, aldehydes, ketonces, and olefins. Alcohols range from C4 to C10. Both alcohols and esters follow a Schulz-Flory chain growth model. We show the relationship between the catalyst properties (BET surface area, acid and base site count and Cu loading and synthesis method) and the performance in the reactions. We also show that physical mixtures of CuHT and HT can have similar product selectivity of low loading CuHT catalysts. The selectivity towards diesel fuel precursor compounds (hereafter ‘DFPC’) increased with conversion until reaching a plateau at high ethanol conversion (~70%). Alcohol selectivity follows a Schultz-Flory distribution at all studied conversions, and that adsorbed ethanol-derived species may undergo surface oligomerization into 1-butanol and higher alcohols before desorbing in a chain-growth mechanism. Zeolite catalysts convert the C4+ alcohols into C8+ ethers in both batch and continuous flow reactors. Selectivities of up to 80% to C8+ ethers at around 70% conversion using a single pass continuous flow system are able to be achieved. The final product feedstocks obtained from etherification have been used in technoeconomic (TEA) and lifecycle analysis (LCA), which indicate a reduction in greenhouse gas (GHG) emissions of 50% relative to conventional diesel. These final feedstocks are undergoing engine testing to elucidate the physiochemical properties and will be compared to diesel #2 ASTM standards as a reference and will serve as a basis to improve the final bio-diesel blendstocks from etherification.

Huber, George↗