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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Determination of Ballistic Limit for IM7/8552 Using LS-DYNA MAT 261

The goal of the NASA ACC High Energy Dynamic Impact Project is to determine the state of the art of dynamic fracture simulations for high velocity impact for composite fuselage shielding applications. Using a building block approach, several computational models considered under NASA ACC are being validated against test data, starting at unconfigured panels and progressing to configured panels under combined out-of-plane and in-plane loading due to ballistic impact. The computational models being evaluated in this project include MAT 162, MAT 213, MAT 261, SPG, and Peridynamics. In this paper, the simulation results using LS-Dyna Material MAT 261 are presented. In particular, a series of blind predictions for unconfigured panels were performed to determine the ballistic limit or V50 velocity. MAT 261 employs failure approach that is generally physically-based using fracture toughness criteria. The overall material model relies on typical ply-level stiffness properties, similar to MAT 162 and other composite continuum damage material models. The fracture toughness values are based on standard tests, and thus are not subject to extensive calibration. This approach is more efficient than performing extensive optimization studies for calibration of parameters. Also, this approach of relying on physical properties reduces the uncertainty of results, as questions concerning the quality and extent of the calibration studies is no longer relevant. However, it was found that carefully controlled coupon-level tests are needed to accurately obtain the required fracture toughness values. Additionally, it should be noted that there is one significant parameter in MAT 261 that does appear to require calibration, and that is the overall failure strain. This is the strain at which the element is deleted, and is not the same as the strain at which damage begins to accumulate. This failure strain is termed EFS (Effective Failure Strain), and is the maximum effective stain for element failure. Simulations have shown that this value will significantly affect impact response and failure. The paper presents the effect of this element failure strain parameter, along with possible uncertainties in fracture toughness values. With an adjusted appropriate value for EFS, it is seen that simulation results compare well with impact test data for predicted penetration velocity.

Byar, Alan↗
DOE OSTI2016

UQ Toolkit v. 3.0

The Uncertainty Quantification (UQ) Toolkit is a software library for the characterization and propagation of uncertainties in computational models. This library provides Bayesian inference tools to infer uncertain model parameters, Bayesian compressive sensing methods for discovering sparse representations of high-dimensional input-output response surfaces, methods for constructing Karhunen-Loève representations of stochastic processes, and global sensitivity analysis tools used to compute Sobol indices in order to characterize the importance of uncertain inputs or the interactions between them. The basis for many of these methods relies on representing random variables with Polynomial Chaos expansions (PCEs). This library implements several spectral basis function types (e.g. Hermite basis functions in terms of Gaussian random variables or Legendre basis functions in terms of uniform random variables) that can be used to represent random variables with PCEs. For the propagation of uncertainty, tools are provided to propagate PCEs that describe the input uncertainty through the computational model using either intrusive methods (Galerkin projection of equations onto basis functions) or non-intrusive methods (perform deterministic operation at sampled values of the random values and project the obtained results onto basis functions).

Sargsyan, Khachik↗
NASA NTRSDate not supplied

In-Depth Modeling and Simulation Analysis of Artemis Missions Using the Impact Probabilistic Risk Assessment Tool

BACKGROUND The Artemis campaign is a Moon exploration program with a series of six planned missions, five of which will be crewed. These five crewed missions will contain a single mission segment (space flight), or multiple mission segments involving space flight (Orion), lunar landing (LTV) and/or space habitat (Gateway). Each crewed segment faces the risk of unique medical conditions, necessitating medical sets/kits tailored to those specificities. To support and enable a data-driven and evidence-based decision-making process through out a mission’s life cycle, a software tool called IMPACT was developed. Using probabilistic risk assessment (PRA) methodologies, IMPACT (Informing Mission Planning via Analysis of Complex Tradespaces) is a novel tool built for analyzing the possibility of encountering complex medical risks during space flight, and for identifying the medical resources and capabilities needed to treat those potential at-risk medical conditions. IMPACT achieves this by performing hundreds of thousands of Monte Carlo simulations of missions to build aggregate pictures of medical risk. During an extended simulation modeling phase, IMPACT generated analytical results for medical risks, and the medical resources and capabilities to address those risks, for every segment of every crewed Artemis mission. This presentation will highlight the reliability, consistency and validity of IMPACT’s computational modeling techniques and will showcase the library of analytical outcomes generated for the Artemis missions. OVERVIEW During the early stages of IMPACT’s design, architecture and technical requirements collection, “scenarios” (use cases) - achievement goals required for acceptance testing, were identified by stakeholders. IMPACT successfully completed the scenario testing requirements and undertook an extensive operational run phase utilizing a wide range of input combinations with a goal of delivering a cohesive, trustworthy, reliable, vast, and diverse body of evidence. The intent of these modeling runs was to validate consistency in output, ensure solidity of executable operations and to streamline processes by identifying areas requiring efficiency improvements. Using the many missions of Artemis, IMPACT ran variations of operational runs to assess the output for acceptable, as well as unusual characteristics. This rigorous long-term “shakedown” analysis was implemented to help build a collective body of evidence to aid in securing a high level of confidence, reliability, and validity in the output, whether from the applicational components of IMPACT, or the entirety of the operational process. ANTICIPATED ANALYSIS AND CONCLUSION This presentation will discuss the various categories of input criteria; the comparisons in the application of these input criteria to various Artemis missions; the preparation and collection of the body of evidence, and reliability of the computational modeling techniques. This paper serves as an initial analytical overview of IMPACT’s probabilistic risk assessment (PRA) medical risk outputs covering Artemis missions and is not intended to be deemed the official medical response for the Artemis campaign.

Crew Composition↗
DOE OSTI2024

A hierarchal model for bacterial cell inactivation in solution by direct and indirect treatment using cold atmospheric plasmas

Cold atmospheric plasma devices have shown promise for a variety of plasma medical applications, including wound healing and bacterial inactivation often performed in liquids. In the latter application, plasma-produced reactive oxygen and nitrogen species (RONS) interact with and damage bacterial cells, though the exact mechanism by which cell damage occurs is unclear. Computational models can help elucidate relationships between plasma-produced RONS and cell killing by enabling direct comparison between dissimilar plasma devices and by examining the effects of changing operating parameters in these devices. In biological applications, computational models of plasma-liquid interactions would be most effective in design and optimization of plasma devices if there is a corresponding prediction of the biological outcome. In this work, we propose a hierarchal model for planktonic bacterial cell inactivation by plasma produced RONS in liquid. A previously developed reaction mechanism for plasma induced modification of cysteine was extended to provide a basis for cell killing by plasma-produced RONS. Results from the model are compared to literature values to provide proof of concept. Differences in time to bacterial inactivation as a function of plasma operating parameters including gas composition and plasma source configuration are discussed. Results indicate that optimizing gas-phase reactive nitrogen species production may be key in the design of plasma devices for disinfection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Predicting Transport of 3,5,6-Trichloro-2-Pyridinol Into Saliva Using a Combination Experimental and Computational Approach

A combination experimental and computational approach was developed to predict chemical transport into saliva. A serous-acinar chemical transport assay was established to measure chemical transport with non-physiological (standard cell culture medium) and physiological (using surrogate plasma and saliva medium) conditions using 3,5,6-trichloro-2-pyridinol (TCPy) a metabolite of the pesticide chlorpyrifos. High levels of TCPy protein binding was observed in cell culture medium and rat plasma resulting in different TCPy transport behaviors in the two experimental conditions. In the non-physiological transport experiment, TCPy reached equilibrium at equivalent concentrations in apical and basolateral chambers. At higher TCPy doses, increased unbound TCPy was observed, and TCPy concentrations in apical and basolateral chambers reached equilibrium faster than lower doses, suggesting only unbound TCPy is able to cross the cellular monolayer. In the physiological experiment, TCPy transport was slower than non-physiological conditions, and equilibrium was achieved at different concentrations in apical and basolateral chambers at a comparable ratio (0.034) to what was previously measured in rats dosed with TCPy (saliva:blood ratio: 0.049). A cellular transport computational model was developed based on TCPy protein binding kinetics and accurately simulated all transport experiments using different permeability coefficients for the two experimental conditions (1.4 vs 0.4 cm/hr for non-physiological and physiological experiments, respectively). The computational model was integrated into a physiologically based pharmacokinetic (PBPK) model and accurately predicted TCPy concentrations in saliva of rats dosed with TCPy. Overall, this study demonstrates an approach to predict chemical transport in saliva potentially increasing the utility of salivary biomonitoring in the future.

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

Computational study of tungsten and depleted uranium photoneutron targets for a 20 MeV electron linear accelerator

Neutron production can be realized with a high energy electron linear accelerator by using Bremsstrahlung and photoneutron converters. In this study, Monte Carlo N-Particle Code (MCNP) was used to evaluate potential photonuclear target designs for a high energy electron linear accelerator for applications such as neutron radiography and neutron resonance spectroscopy. A computational model was developed to inform a target design that would yield a high number of neutrons. It consists of a 20 MeV electron beam incident on a Bremsstrahlung target and a photonuclear target to generate neutrons. This computational model showed that a thickness of 0.75 inches for both tungsten and depleted uranium yields the most neutrons from photoneutron reactions. Saturation in the total number of generated neutrons was observed at over 0.75-inch thickness for both evaluated materials. Depleted uranium yielded approximately twice the number of neutrons overall compared to tungsten. The highest neutron surface flux for Depleted Uranium was 1.06 × 10-4 neutrons/cm2/source electron, and for Tungsten it was 5.12 × 10-5 neutrons/cm2/source electron. The optimal target design for this study’s application would consist of a 0.75 inch-thick block of depleted uranium with the length, width, and/or diameter varying dependent on application.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

A visco-plastic constitutive model for accurate densification and shape predictions in powder metallurgy hot isostatic pressing

Powder metallurgy hot isostatic pressing (PM-HIP) is an advanced manufacturing process that produces near net shape parts with high material utilization and uniform microstructures. Despite being used frequently to produce small-scale components, the application of PM-HIP to large-scale components is limited due to inadequate understanding of its complex mechanisms that cause unpredictable post-HIP shape distortions. A computational model can provide necessary information about the intermediate and final stages of the HIP process that can help understand it better and make accurate predictions. Generally, two types of computational models are employed for PM-HIP of metal powders, namely, plastic and visco-plastic models. Between these, the plastic model is preferred due to its cheaper calibration approach requiring less experimental data. However, the plastic model sometimes produces incorrect predictions when slight variations of the HIP conditions are encountered in practical situations. Therefore, this work presents a visco-plastic model that addresses these limitations of the plastic model. A novel modified calibration approach is employed for the visco-plastic model that utilizes less experimental data than existing approaches. With the new approach, the data requirement is same for both plastic and visco-plastic models. This also enables a quantitative comparison of plastic and visco-plastic models, which have been only qualitatively compared in the past. When calibrated with the same experimental data, both the models are found to produce similar results. In conclusion, the calibrated visco-plastic model is applied to several complex geometries, and the predictions are found to be in good agreement with experimental observations.

Hot isostatic pressing↗
DOE OSTI2017

Metal Big Area Additive Manufacturing: Process Modeling and Validation

Metal Big Area Additive Manufacturing (mBAAM) is a new additive manufacturing (AM) technology for printing large-scale 3D objects. mBAAM is based on the gas metal arc welding process and uses a continuous feed of welding wire to manufacture an object. An electric arc forms between the wire and the substrate, which melts the wire and deposits a bead of molten metal along the predetermined path. In general, the welding process parameters and local conditions determine the shape of the deposited bead. The sequence of the bead deposition and the corresponding thermal history of the manufactured object determine the long range effects, such as thermal-induced distortions and residual stresses. Therefore, the resulting performance or final properties of the manufactured object are dependent on its geometry and the deposition path, in addition to depending on the basic welding process parameters. Physical testing is critical for gaining the necessary knowledge for quality prints, but traversing the process parameter space in order to develop an optimized build strategy for each new design is impractical by pure experimental means. Computational modeling and optimization may accelerate development of a build process strategy and saves time and resources. Because computational modeling provides these opportunities, we have developed a physics-based Finite Element Method (FEM) simulation framework and numerical models to support the mBAAM process s development and design. In this paper, we performed a sequentially coupled heat transfer and stress analysis for predicting the final deformation of a small rectangular structure printed using the mild steel welding wire. Using the new simulation technologies, material was progressively added into the FEM simulation as the arc weld traversed the build path. In the sequentially coupled heat transfer and stress analysis, the heat transfer was performed to calculate the temperature evolution, which was used in a stress analysis to evaluate the residual stresses and distortions. In this formulation, we assume that physics is directionally coupled, i.e. the effect of stress of the component on the temperatures is negligible. The experiment instrumentation (measurement types, sensor types, sensor locations, sensor placements, measurement intervals) and the measurements are presented. The temperatures and distortions from the simulations show good correlation with experimental measurements. Ongoing modeling work is also briefly discussed.

Additive Manufacturing↗
DOE OSTI2015

Metal-Mediated Affinity and Orientation Specificity in a Computationally Designed Protein Homodimer

Computationally designing protein-protein interactions with high affinity and desired orientation is a challenging task. Incorporating metal-binding sites at the target interface may be one approach for increasing affinity and specifying the binding mode, thereby improving robustness of designed interactions for use as tools in basic research as well as in applications from biotechnology to medicine. Here we describe a Rosetta-based approach for the rational design of a protein monomer to form a zinc-mediated, symmetric homodimer. Our metal interface design, named MID1 (NESG target ID OR37), forms a tight dimer in the presence of zinc (MID1-zinc) with a dissociation constant <30 nM. Without zinc the dissociation constant is 4 {micro}M. The crystal structure of MID1-zinc shows good overall agreement with the computational model, but only three out of four designed histidines coordinate zinc. However, a histidine-to-glutamate point mutation resulted in four-coordination of zinc, and the resulting metal binding site and dimer orientation closely matches the computational model (C{alpha} rmsd = 1.4 {angstrom}).

Der, Bryan S.↗
DOE OSTI2020

Radiolytic degradation of formic acid and formate in aqueous solution: modeling the final stages of organic mineralization under advanced oxidation process conditions

The successful use of advanced oxidation processes to treat aqueous solutions containing undesirable organic species requires the degradation of these species to lower molecular weight, lower hazard compounds. Safe application of this technology requires a thorough understanding of the mechanisms of degradation. These oxidative transformations are mainly initiated by the reactions of reactive oxygen species, particularly hydroxyl radicals. These react with organic molecules to generate carbon-centered radicals. In the presence of dissolved oxygen, the carbon-centered radicals are next converted to peroxyl radicals, which then decay to lower molecular weight species by multiple mechanistic pathways. Formic acid and its conjugate base formate are the last stable chemical species produced immediately before the complete mineralization of any organic molecule undergoing oxidative degradation in aqueous solution. Once understood, the radical-induced chemistry of formic acid/formate under these conditions has wide applicability in all advanced oxidation technologies. To develop this quantitative knowledge, here we have performed a series of 60 Co gamma irradiation studies on aqueous formic acid/formate over different pH and solution conditions. The measured species concentration changes, as a function of applied dose, are compared with the predictions of a kinetic computer model constructed from literature reactions and reported rate coefficients. The excellent agreement found between the results and modeling gives confidence in the mechanism presented here and provide the first complete computer model for the radiolytic degradation of formic acid in water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

A computational study of multiple jet and wall interaction

In the fuel preburner of the Space Shuttle Main Engine, face plate, injector, and baffle erosion have been observed. The observed patterns of erosion suggest that flame attachment to the walls is a contributing factor. To better understand the physical phenomena involved, a portion of the preburner was modeled computationally. The simulated 'preburner' had three two-dimensional jets entering a cavity adjacent to a baffle. The computational model employed the Patankar Spalding algorithm with upwind differencing. The turbulence model was a standard k-epsilon model with wall functions. The effects of incoming boundary conditions on turbulent kinetic energy and dissipation, k and epsilon, was studied. The results indicate a very strong sensitivity to these boundary conditions over certain ranges of values.

Campbell, W.↗
DOE OSTI2017

Probing the Origin of Interfacial Carriers in SrTiO 3 –LaCrO 3 Superlattices

Emergent phenomena at complex oxide interfaces could provide the basis for a wide variety of next-generation devices, including photovoltaics and spintronics. To date, detailed characterization and computational modeling of interfacial defects, cation intermixing, and film stoichiometry have helped to explain many of the novel behaviors observed at a single heterojunction. Unfortunately, many of the techniques employed to characterize a single heterojunction are less effective for a superlattice made up of a repeating series of interfaces that induce collective interfacial phenomena throughout a film. However, these repeating interfaces present an untapped opportunity to introduce an additional degree of complexity, such as confined electric fields, that cannot be studied in a single heterojunction. In this work, we explore the properties of SrTiO3-LaCrO3 superlattices to understand the role of defects, including variations in cation stoichiometry of individual layers of the superlattice, intermixing across interfaces, and interfacial oxygen vacancies. Using x-ray photoelectron spectroscopy (XPS) and scanning transmission electron microscopy electron energy-loss spectroscopy (STEM-EELS), we quantify the stoichiometry of individual layers of the superlattice and determine the degree of intermixing in these materials. By comparing these results to both density functional theory (DFT) models and STEM-EELS measurements of the Ti and Cr valence in each layer of the superlattice, we correlate different types of defects with the associated materials properties of the superlattice. We show that a combination of ab initio modeling and complementary structural characterization methods can offer unique insight into structure-property relationships in many oxide superlattice systems.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Phosphoric acid fuel cell power plant system performance model and computer program

A FORTRAN computer program was developed for analyzing the performance of phosphoric acid fuel cell power plant systems. Energy mass and electrochemical analysis in the reformer, the shaft converters, the heat exchangers, and the fuel cell stack were combined to develop a mathematical model for the power plant for both atmospheric and pressurized conditions, and for several commercial fuels.

Alkasab, K. A.↗
NASA NTRS1988

A computationally efficient modelling of laminar separation bubbles

The goal of this research is to accurately predict the characteristics of the laminar separation bubble and its effects on airfoil performance. To this end, a model of the bubble is under development and will be incorporated in the analysis section of the Eppler and Somers program. As a first step in this direction, an existing bubble model was inserted into the program. It was decided to address the problem of the short bubble before attempting the prediction of the long bubble. In the second place, an integral boundary-layer method is believed more desirable than a finite difference approach. While these two methods achieve similar prediction accuracy, finite-difference methods tend to involve significantly longer computer run times than the integral methods. Finally, as the boundary-layer analysis in the Eppler and Somers program employs the momentum and kinetic energy integral equations, a short-bubble model compatible with these equations is most preferable.

Maughmer, Mark D.↗
DOE OSTI2022

Analytical Modeling of Biomass Transport and Feeding Systems

The processing of biomass solids in a biorefinery consists of pretreatment, enzyme hydrolysis / concurrent fermentation of sugars to ethanol, product recovery, and drying. Sustainable operation requires a front end that transforms wet solids into a pumpable slurry. Otherwise the biorefinery will suffer unscheduled shut-downs and inefficient operation due to solids that obstruct pumps and other equipment and resist mixing in a bioreactor. Downtime in pioneer biorefineries due to interruptions from materials handling problems has been 50% or more, leading to unsustainable manufacturing processes. This work addresses new technology, predictive computational models, and definition of operational conditions that result in formation of slurries of corn stover at up to 300 g/L using low enzyme loadings (1 to 3 FPU cellulase/g) before the biomass (corn stover) enters the pretreatment step. A team of researchers from Purdue University, Idaho National Laboratory (INL), Forest Concepts, AdvanceBio, Argonne National Laboratory, and DOE BETO have combined their knowledge in agricultural and biological engineering, bioprocess engineering, mechanical engineering, chemical engineering, agricultural economics, materials engineering and enzyme and microbial technology to address the challenge of making lignocellulose flow. This team effort has resulted in the development and validation of conditions that employ low levels of commercial enzyme in an agitated bioreactor to which corn stover pellets are added resulting in formation of slurries at high solids loadings, before pretreatment. This approach overcomes challenges caused by handling of dry, particulate biomass materials at the front end of the biorefinery. The subsequent materials handling issues cause obstruction at pumps, pipes and valves. Formation of high loadings slurries with low yield stress, as reported here, significantly decreases the potential for process interruption and enhances plant operability. Key advances in the knowledge of how slurry formation occurs is reported here and in recently published journal papers. We found that pellets are needed to achieve high solids loading, and that commercial enzymes are effective in forming slurries of corn stover particles from pellets that have not been pretreated. Our work has resulted in models that predict solids behavior for formation of compressed solids and pellets that in turn facilitate slurries made of high concentrations of corn stover particles. A computational model was developed that gives mechanistic insights into properties of particles and mixing process that gives the slurry rheology needed to facilitate pumping. Hence, the corn stover may be pumped into a pretreatment reactor in place of auguring in solids against high pressure which is a root cause of interruptions at the front end of a biorefinery. Subsequent mixing in enzyme and microbial bioreactors results in conversion of lignocellulose to sugars in a biorefinery in agitated bioreactors, with flows in and out of the vessels being less likely to be interrupted due to plugging or materials handling problems. The obtained data coupled to process models, techno-economic assessment (TEA) and Life Cycle Analysis (LCA) were used to assess whether this approach is practical. These results are based on a foundation of laboratory characterization and pilot runs. The NREL biochemical sugar model was utilized to carry out techno-economic analysis of enzyme catalyzed liquefaction followed by enzyme hydrolysis. The minimum sugar selling price was between 17.5 and 18.3 ¢/pound or about the same as calculated by the NREL model for dilute acid pretreatment followed by enzyme hydrolysis. Life cycle analysis (LCA) based on Argonne’s Greet Model showed the enzyme catalyzed route had the lowest greenhouse gas emissions of the three combinations studied (i.e., enzyme, enzyme mimetic, and enzyme + mimetic combined). GHG emissions for enzyme-based corn stover liquefaction step, alone, were about 21 g CO 2 -equivalent/kg of liquefied slurry. We believe this approach will further enhance operability of a pioneer biorefinery, and bring large-scale conversion of lignocellulosic biomass to low carbon footprint biofuels closer to implementation.

09 BIOMASS FUELS↗
DOE OSTI2014

Protein expression, characterization and activity comparisons of wild type and mutant DUSP5 proteins

Background: The mitogen-activated protein kinases (MAPKs) pathway is critical for cellular signaling, and proteins such as phosphatases that regulate this pathway are important for normal tissue development. Based on our previous work on dual specificity phosphatase-5 (DUSP5), and its role in embryonic vascular development and disease, we hypothesized that mutations in DUSP5 will affect its function. Results: In this study, we tested this hypothesis by generating full-length glutathione-S-transferase-tagged DUSP5 and serine 147 proline mutant (S147P) proteins from bacteria. Light scattering analysis, circular dichroism, enzymatic assays and molecular modeling approaches have been performed to extensively characterize the protein form and function. We demonstrate that both proteins are active and, interestingly, the S147P protein is hypoactive as compared to the DUSP5 WT protein in two distinct biochemical substrate assays. Furthermore, due to the novel positioning of the S147P mutation, we utilize computational modeling to reconstruct full-length DUSP5 and S147P to predict a possible mechanism for the reduced activity of S147P. Conclusion: Taken together, this is the first evidence of the generation and characterization of an active, full-length, mutant DUSP5 protein which will facilitate future structure-function and drug development-based studies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Ion Exchange Column Tests Supporting Technetium Removal Resin Maturation

The primary treatment of the tank waste at the DOE Hanford site will be done in the Waste Treatment and Immobilization Plant, currently under construction. The baseline plan for this facility is to treat the waste, splitting it into High Level Waste (HLW) and Low Activity Waste (LAW). Both waste streams are then separately vitrified as glass and sealed in canisters. The LAW glass will be disposed on site. There are currently no plans to treat the waste to remove technetium, so its disposition path is the LAW glass. Due to the soluble properties of pertechnetate and long half-life of 99 Tc, effective management of 99 Tc is important. Options are being explored to immobilize the supplemental LAW portion of the tank waste, as well as to examine the volatility of 99 Tc during the vitrification process. Removal of 99 Tc, followed by off-site disposal has potential to reduce treatment and disposal costs. A conceptual flow sheets for supplemental LAW treatment and disposal that could benefit from technetium removal will specifically examine removing 99 Tc from the LAW feed stream to supplemental immobilization. SuperLig® 639 is an elutable ion exchange resin. In the tank waste, 99 Tc is predominantly found in the tank supernate as pertechnetate (TcO 4 - ). Perrhenate (ReO 4 - ) has been shown to be a good non-radioactive surrogate for pertechnetate in laboratory testing for this ion exchange resin. This report contains results of experimental ion exchange distribution coefficient and column resin maturation kinetics testing using the resin SuperLig® 639a to selectively remove perrhenate from simulated LAW. This revision includes results from testing to determine effective resin operating temperature range. Loading tests were performed at 45°C, and the computer modeling was updated to include the temperature effects. Equilibrium contact testing indicated that this batch of SuperLig® 639 resin has good performance, with an average perrhenate distribution coefficient of 291 mL/g at a 100:1 phase ratio. This slightly exceeds the computer-modeled equilibrium distribution. The modeling agreed well with the experimental data for perrhenate removal with minor adjustments. Predicted breakthrough performance was on average within about 20% of measured values.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1984

Computer-Aided Geometry Modeling

Techniques in computer-aided geometry modeling and their application are addressed. Mathematical modeling, solid geometry models, management of geometric data, development of geometry standards, and interactive and graphic procedures are discussed. The applications include aeronautical and aerospace structures design, fluid flow modeling, and gas turbine design.

John N. Shoosmith↗