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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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At least 451 records · Page 25

Rapid estimation of sugar release from winter wheat straw during bioethanol production using FTIR-photoacoustic spectroscopy

Complexity and high cost are the main limitations for high-throughput screening methods for the estimation of the sugar release from plant materials during bioethanol production. In addition, it is important that we improve our understanding of the mechanisms by which different chemical components are affecting the degradability of plant material. In this study, Fourier transform infrared photoacoustic spectroscopy (FTIR-PAS) was combined with advanced chemometrics to develop calibration models predicting the amount of sugars released after pretreatment and enzymatic hydrolysis of wheat straw during bioethanol production, and the spectra were analysed to identify components associated with recalcitrance. A total of 1122 wheat straw samples from nine different locations in Denmark and one location in the United Kingdom, spanning a large variation in genetic material and environmental conditions during growth, were analysed. The FTIR-PAS spectra of non-pretreated wheat straw were correlated with the measured sugar release, determined by a high-throughput pretreatment and enzymatic hydrolysis (HTPH) assay. A partial least square regression (PLSR) calibration model predicting the glucose and xylose release was developed. The interpretation of the regression coefficients revealed a positive correlation between the released glucose and xylose with easily hydrolysable compounds, such as amorphous cellulose and hemicellulose. Additionally, we observed a negative correlation with crystalline cellulose and lignin, which inhibits cellulose and hemicellulose hydrolysis. FTIR-PAS was used as a reliable method for the rapid estimation of sugar release during bioethanol production. The spectra revealed that lignin inhibited the hydrolysis of polysaccharides into monomers, while the crystallinity of cellulose retarded its hydrolysis into glucose. Amorphous cellulose and xylans were found to contribute significantly to the released amounts of glucose and xylose, respectively.

09 BIOMASS FUELS↗

Oil Recovery Prediction for Polymer Flood Field Test of Heavy Oil on Alaska North Slope Via Machine Assisted Reservoir Simulation

The first ever polymer flood field pilot to enhance the recovery of heavy oils on the Alaska North Slope is ongoing. This study constructs and calibrates a reservoir simulation model to predict the oil recovery performance of the pilot through machine-assisted reservoir simulation techniques. To replicate the early water breakthrough observed during waterflooding, transmissibility contrasts are introduced into the simulation model, forcing viscous fingering effects. In the ensuing polymer flood, these transmissibility contrasts are reduced to replicate the restoration of injection conformance during polymer flooding, as indicated by a significant decrease in water cut. Later, transmissibility contrasts are reinstated to replicate a water surge event observed in one of the producing wells during polymer flooding. This event may represent decreased injection conformance from fracture overextension; its anticipated occurrence in the other production well is included in the final forecast. The definition of polymer retention in the simulator incorporates the tailing effect reported in laboratory studies; this tailing effect is useful to the simultaneous history match of producing water cut and produced polymer concentration. The top 24 best-matched simulation models produced at each stage of the history matching process are used to forecast oil recovery. The final forecast clearly demonstrates that polymer flooding significantly increases the heavy oil production for this field pilot compared to waterflooding alone. This exercise displays that a simulation model is only valid for prediction if flow behavior in the reservoir remains consistent with that observed during the history matched period. Critically, this means that a simulation model calibrated for waterflooding may not fully capture the benefits of an enhanced oil recovery process such as polymer flooding. Therefore, caution is recommended in using basic waterflood simulation models to scope potential enhanced oil recovery projects.

Keith, Cody Douglas↗

Development of a Test-Bed for Testing and Refining EarthEn’s Supercritical CO 2 Based Energy Storage System

EarthEn’s energy storage concept leverages supercritical carbon dioxide (sCO 2 ) as a working fluid and relies on compact, high-performance components operating at elevated pressures and temperatures. To accelerate component development and reduce technical risk prior to larger-scale demonstrations, Oak Ridge National Laboratory (ORNL) developed a 100 kW-scale sCO 2 test-bed under a Cooperative Research and Development Agreement with EarthEn (CRADA NO. NFE-24-10050). The objective of the work was to design and construct a flexible experimental facility capable of reproducing key thermodynamic state points and heat-transfer conditions relevant to EarthEn’s thermal energy storage (TES) cycle, with particular emphasis on enabling development and evaluation of next-generation heat exchangers and TES concepts. The test-bed consists of a closed-loop sCO 2 circulation system housed within an open-topped enclosure. In its as-installed configuration, dense-phase sCO 2 is recirculated through a printed circuit recuperator, an electrically heated section, a throttling device used to simulate turbine expansion, and a water-cooled printed circuit heat exchanger that rejects heat to the building chilled-water system before returning to the pump. The pump is driven by a variable frequency drive, enabling controlled adjustment of flow and operating point. A comprehensive instrumentation suite was integrated to support both safe operation and high-quality data collection. Installed sensors include Coriolis flow meters for sCO 2 flow rate and density, resistance temperature detectors and thermocouples distributed throughout the loop (including the heated section and key heat exchanger ports), and pressure transducers for absolute and differential pressure measurements. The facility was designed to support high-pressure (19 MPa nominal) and high-temperature (575°C nominal) operation with credited overpressure protection provided by a rupture disk. Nominal operating conditions were selected to support 100 kW-class testing while maintaining flexibility for non-heated and heated shakedown, control development, and future integration of advanced TES test sections. In parallel with facility development, a system-level thermal-hydraulic model was created using Modelica-based tools to support component sizing, anticipate performance over targeted test conditions, and establish a framework for future model calibration against experimental data. At the conclusion of the project performance period, the facility was in final assembly, and the pressure boundary was nearly completed. However, several practical challenges associated with high-pressure/high-temperature systems and specialized component procurement impacted schedule and prevented initial pump-driven operation and full commissioning within the available resources. This report documents the as-built design, operating capabilities, and instrumentation, and it summarizes key lessons learned related to heater fabrication and testing, first-of-a-kind assembly factors, specialty flange supply constraints, and fill pump corrective actions. Finally, it outlines a phased plan for future commissioning and experimental campaigns, including control and instrumentation shakedown, heater characterization, model calibration, and testing at state points representative of EarthEn’s TES cycle.

25 ENERGY STORAGE↗

Line overlap and self-shielding of molecular hydrogen in galaxies

The effect of line overlap in the Lyman and Werner bands, often ignored in galactic studies of the atomic-to-molecular transition, greatly enhances molecular hydrogen self-shielding in low metallicity environments and dominates over dust shielding for metallicities below about 10% solar. We implement that effect in cosmological hydrodynamics simulations with an empirical model, calibrated against the observational data, and provide fitting formulae for the molecular hydrogen fraction as a function of gas density on various spatial scales and in environments with varied dust abundance and interstellar radiation field. We find that line overlap, while important for detailed radiative transfer in the Lyman and Werner bands, has only a minor effect on star formation on galactic scales, which, to a much larger degree, is regulated by stellar feedback.

79 ASTRONOMY AND ASTROPHYSICS↗

Advanced simulation capability for environmental management, integrated tool-sets and simulator to enhance public communication - 15186

The U.S. Department of Energy (US DOE) Office of Environmental Management (EM), Office of Soil and Groundwater Remediation, is supporting multi-laboratory development of the Advanced Simulation Capability for Environmental Management (ASCEM). ASCEM is an open source and modular computing framework that incorporates new advances and tools for predicting contaminant fate and transport in natural and engineered systems. ASCEM facilitates transparent, efficient and integrated approaches to modeling and site characterization, and provides robust and standardized assessments of performance and risk for EM cleanup and closure activities. Site subsurface simulation modeling and performance assessments are complex and involve sensitivity evaluations and uncertainty quantification to better understand the risks at a site. The ASCEM tool-set was designed in close collaboration with the sites and other potential end-users (both the public and regulators) to allow better communication and understanding of these complex modeling efforts. ASCEM's integrated tool-sets provide a user interface and tools for managing work-flows, including conceptual model development, management of data and metadata for model input, sensitivity analysis, model calibration and uncertainty analysis, model execution on diverse computational platforms, and processing of model output, including visualization. The hierarchical and modular design of ASCEM HPC simulator Amanzi easily lends itself to translating this conceptual model of a site into a numerical model that can easily be spatially and temporally discretized to run on the HPC simulator. Together this integrated work-flow allows for a seamless and integrated analysis tracking all provenance information and modeling uncertainties. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Thematic Mapper. Volume 1: Calibration report flight model, LANDSAT 5

The calibration of the Flight 1 Model Thematic Mapper is discussed. Spectral response, scan profile, coherent noise, line spread profiles and white light leaks, square wave response, radiometric calibration, and commands and telemetry are specifically addressed.

Cooley, R. C.↗

Goal-oriented a-posteriori estimation of model error as an aid to parameter estimation

In this work, a Bayesian model calibration framework is presented that utilizes goal-oriented a-posterior error estimates in quantities of interest (QoIs) for classes of high-fidelity models characterized by PDEs. It is shown that for a large class of computational models, it is possible to develop a computationally inexpensive procedure for calibrating parameters of high-fidelity models of physical events when the parameters of low-fidelity (surrogate) models are known with acceptable accuracy. The main ingredients in the proposed model calibration scheme are goal-oriented a-posteriori estimates of error in QoIs computed using a so-called lower fidelity model compared to those of an uncalibrated higher fidelity model. The estimates of error in QoIs are used to define likelihood functions in Bayesian inversion analysis. A standard Bayesian approach is employed to compute the posterior distribution of model parameters of high-fidelity models. As applications, parameters in a quasi-linear second-order elliptic boundary-value problem (BVP) are calibrated using a second-order linear elliptic BVP. In a second application, parameters of a tumor growth model involving nonlinear time-dependent PDEs are calibrated using a lower fidelity linear tumor growth model with known parameter values.

A-posterior estimates↗

Modeling groundwater/surface-water interactions in an Alpine valley (the Aosta Plain, NW Italy): the effect of groundwater abstraction on surface-water resources

A groundwater flow model of the Alpine valley aquifer in the Aosta Plain (NW Italy) showed that well pumping can induce river streamflow depletions as a function of well location. Analysis of the water budget showed that ∼80% of the water pumped during 2 years by a selected well in the downstream area comes from the baseflow of the main river discharge. Alluvial aquifers hosted in Alpine valleys fall within a particular hydrogeological context where groundwater/surface-water relationships change from upstream to downstream as well as seasonally. A transient groundwater model using MODFLOW2005 and the Streamflow-Routing (SFR2) Package is here presented, aimed at investigating water exchanges between the main regional river (Dora Baltea River, a left-hand tributary of the Po River), its tributaries and the underlying shallow aquifer, which is affected by seasonal oscillations. The three-dimensional distribution of the hydraulic conductivity of the aquifer was obtained by means of a specific coding system within the database TANGRAM. Both head and flux targets were used to perform the model calibration using PEST. Results showed that the fluctuations of the water table play an important role in groundwater/surface-water interconnections. In upstream areas, groundwater is recharged by water leaking through the riverbed and the well abstraction component of the water budget changes as a function of the hydraulic conditions of the aquifer. In downstream areas, groundwater is drained by the river and most of the water pumped by wells comes from the base flow component of the river discharge.

58 GEOSCIENCES↗

An international study on THM modelling of the full-scale heater experiment at Mont Terri laboratory

We present results from an international model comparison study of the Full-Scale Emplacement (FE) experiment in Opalinus Clay at the Mont Terri Laboratory, Switzerland. Based on a provided parameter set the teams decided which parameters they adopted for their models, whether they considered the excavation and the ventilation phase in addition to the heating phase and if they included technical features like the shotcrete or the EDZ. The teams were able to reproduce the measured parameters temperature, relative humidity and pore pressure. The modelled results for temperature agree very closely between the teams especially in the sensors in Opalinus Clay. All teams were able to reproduce the redistribution of water in the bentonite backfill due to heating. The evolution of the relative humidity showed similar trends with differences in the intensity of the dry out effect. To model the pore pressure evolution is more complex because it comprises the full interaction of the coupled THM processes. The spread between the pore pressure modelled by the teams was larger, with some teams overestimating the pressure increase due to heating and some teams overestimating the extent of drainage. The agreement of modelled results with measurements improves with larger distance to the heater. We conclude that the EDZ and the shotcrete potentially influence the behaviour of the rock causing higher differences closer to the heater. Further research is needed to better implement those influences into the models. Based on the calibrated models, the future evolution of temperature, relative humidity and pore pressure was predicted over the next 10 years following a change of the heat power applied in 2023 and 2024. Again, the predicted temperatures agree very closely between the teams. Most teams do not expect an increase in relative humidity during the next 10 years after the initial dry-out.

58 GEOSCIENCES↗

Point model equations for neutron correlation counting: Extension of Böhnel's equations to any order

Various methods of autocorrelation neutron analysis may be used to extract information about a measurement item containing spontaneously fissioning material. The two predominant approaches being the time correlation analysis (that make use of a coincidence gate) methods of multiplicity shift register logic and Feynman sampling. The common feature is that the correlated nature of the pulse train can be described by a vector of reduced factorial multiplet rates. We call these singlets, doublets, triplets etc. Within the point reactor model the multiplet rates may be related to the properties of the item, the parameters of the detector, and basic nuclear data constants by a series of coupled algebraic equations – the so called point model equations. Solving, or inverting, the point model equations using experimental calibration model parameters is how assays of unknown items is performed. Currently only the first three multiplets are routinely used. In this work we develop the point model equations to higher order multiplets using the probability generating functions approach combined with the general derivative chain rule, the so called Faà di Bruno Formula. Explicit expression up to 5th order are provided, as well the general iterative formula to calculate any order. This study represents the first necessary step towards determining if higher order multiplets can add value to nondestructive measurement practice for nuclear materials control and accountancy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Rapid Analysis of Inorganic Species in Herbaceous Materials Using Laser-Induced Breakdown Spectroscopy [plus supplemental information]

Inorganic compounds in biomass, often referred to as ash, are known to be problematic in the thermochemical conversion of biomass to bio-oil or syngas and, ultimately, hydrocarbon fuels because they negatively influence reaction pathways, contribute to fouling and corrosion, poison catalysts, and impact waste streams. The most common ash-analysis methods, such as inductively coupled plasma-optical emission spectrometry/mass spectrometry (ICP-OES/MS), require considerable time and expensive reagents. Laser-induced breakdown spectroscopy (LIBS) is emerging as a technique for rapid analysis of the inorganic constituents in a wide range of biomass materials. This study compares analytical results using LIBS data to results obtained from three separate ICP-OES/MS methods for 12 samples, including six standard reference materials. Analyzed elements include aluminum, calcium, iron, magnesium, manganese, phosphorus, potassium, sodium, and silicon, and results show that concentrations can be measured with an uncertainty of approximately 100 parts per million using univariate calibration models and relatively few calibration samples. These results indicate that the accuracy of LIBS is comparable to that of ICP-OES methods and indicate that some acid-digestion methods for ICP-OES may not be reliable for Na and Al. These results also demonstrate that germanium can be used as an internal standard to improve the reliability and accuracy of measuring many elements of interest, and that LIBS can be used for rapid determination of total ash in biomass samples. Key benefits of LIBS include little sample preparation, no reagent consumption, and the generation of meaningful analytical data instantaneously.

09 BIOMASS FUELS↗

SU-E-T-32: An Application of GafChromic RTQA2 Film to the Patient Specified Quality Assurance

Purpose: GafChromic RTQA2 film is known as a quality assurance (QA) tool for light field and radiation field verification. This study is attempted to apply the RTQA2 film to the patient specified quality assurance. Methods: Pre-irradiated and post-irradiated RTQA2 films were scanned in a reflection mode using a flatbed scanner. A plan-based dose calibration method utilized the mapping information of calculated dose image and measured film image to create a dose vs. pixel value calibration model. This model was used to calibrate the measured film image from the pixel value (gray value) image to the dose image. The dose agreement between calculated and measured dose images were analyzed using the gamma analysis. To evaluate the feasibility of this method, three clinical approved RapidArc cases (one abdomen cancer and two head-and-neck cancer patients) were tested. The tolerance of 3% dose difference and 3 mm distance to agreement (DTA) and gamma index ≤ 1 were set for the analysis. Results: The calibrated film dose image from measurement was successfully compared to the predicted dose image from the commercial treatment planning. The gamma analysis results showed good consistency. Gamma passing rates were 99.02%, 94.84%, and 98.33% for the three patients, respectively. Conclusion: The plan based calibration method has the feasibility for dose verification without shortages of film batch and development time variation.

60 APPLIED LIFE SCIENCES↗