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DOE OSTI2021

Gimballed Tracking Mount Pointing Angle Qualification

Tonopah Test Range (TTR), in support of its testing mission and modernization effort acquired a fleet of new gimballed tracking mounts (GTMs) manufactured by BAE Systems. The new GTMs can be operated remotely during flight tests and provide near real-time target tracking data. Furthermore, test vehicle Time-Space-Position-Information (TSPI) is evaluated using post-test synchronized imagery and pointing angle measurements acquired from each tracking mount. To comply with the Nuclear Enterprise Assurance Program (NEAP), all measurements devices must be certified. In keeping with the NEAP program, qualification of the new GTMs have been assessed to confirm that their pointing angle measurements produce acceptable TSPI results. This study only evaluated the four GTMs as a stand-alone solution and found that the GTMs meet their performance requirement of 0.006 degrees RMS error (or less) for post-processed pointing angles and produced TSPI solution with error volumes on the order of one meter or less. The new GTMs will be utilized in combination with existing optical tracking mounts, which will only improve the accuracy of the resulting TSPI data product. Details regarding the approach, analysis, summary results, and conclusions are presented.

42 ENGINEERING↗

DOE OSTI2023

The Optical Signatures of Stochastic Processes in Many-Body Exciton Scattering

We review our recent quantum stochastic model for spectroscopic lineshapes in the presence of a coevolving and nonstationary background population of excitations. Starting from a field theory description for interacting bosonic excitons, we derive a reduced model whereby optical excitons are coupled to an incoherent background via scattering as mediated by their screened Coulomb coupling. The Heisenberg equations of motion for the optical excitons are then driven by an auxiliary stochastic population variable, which we take to be the solution of an Ornstein–Uhlenbeck process. Here, we present an overview of the theoretical techniques we have developed as applied to predicting coherent nonlinear spectroscopic signals. We show how direct (Coulomb) and exchange coupling to the bath give rise to distinct spectral signatures and discuss mathematical limits on inverting spectral signatures to extract the background density of states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Liquid solution centrifugation for safe, scalable, and efficient isotope separation

A general method of separating isotopes by centrifuging dissolved chemical compounds in a liquid is introduced. This technique can be applied to almost all elements and leads to large separation factors. The method has been demonstrated in several isotopic systems including Ca, Mo, O, and Li with single-stage selectivities of 1.046 to 1.067 per neutron mass difference (e.g., 1.43 in 40 Ca/ 48 Ca), which are beyond the capabilities of various conventional methods. Equations are derived to model the process, and the results agree with those of the experiments. The scalability of the technique has been demonstrated by a three-stage enrichment of 48 Ca with a total 40 Ca/ 48 Ca selectivity of 2.43, and the scalability is more broadly supported through analogies to gas centrifuge, whereby countercurrent centrifugation can further multiply the separation factor by 5 to 10 times per stage in a continuous process. Optimal centrifuge conditions and solutions can achieve both high-throughput and highly efficient isotope separation.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2015

X-ray-driven reaction front dynamics at calcite-water interfaces

The interface between minerals and aqueous solutions hosts globally important biogeochemical processes such as the growth and dissolution of carbonate minerals. Understanding such processes requires spatially and temporally resolved observations and experimental controls that precisely manipulate the interfacial thermodynamic state. Using the intense radiation fields of a focused synchrotron x-ray beam, we drove dissolution at the calcite/water interface and simultaneously probed the dynamics of the propagating reaction fronts using surface x-ray microscopy. Evolving surface structures were controlled by the time-dependent solution composition, as characterized by a kinetic reaction model. At extreme disequilibria, we observed the onset of reaction front instabilities with velocities of > 30 nanometers per second. These instabilities serve as a signature of transport-limited dissolution of calcite under extreme disequilibrium.

calcite-water interface↗

DOE OSTI2017

Commercially Scalable Process to Fabricate Porous Silicon

Navitas Advanced Solutions Group proposes a novel, commercially scalable approach to supply microporous silicon (μpSi) to lithium ion battery manufacturers. If successful, this project will result in a significant reduction in the cost and environmental impact of high capacity anodes that are needed to meet the EV Everywhere battery goals. Silicon nanocomposite materials have been identified as a viable anode technology for EV batteries. Presently, high capacity silicon-based anodes rely either on materials that are expensive (e. g., silane or nano-silicon powder) or on processes that are limited by low yield methods (e.g., chemical vapor deposition). Microporous silicon potentially avoids these limitations and is attracting increasing attention as a lower cost alternative for the manufacture of high capacity silicon-based anodes. Microporous silicon suitable for EV batteries is not currently available as a commodity material. Microporous silicon can be produced at lab scale through a metal catalyzed hydrofluoric acid etching process. However, this process is expensive and hazardous. Our proposed production route will facilitate the availability of μpSi to lithium ion battery producers and developers at a scale and cost able to support EV battery production. Under the Vehicle Technologies FOA AOI 4 seeks Advances in Existing and Next-Generation Battery Material Manufacturing to reduce the cost of EV batteries. The EV Everywhere initiative establishes a goal of $100/kWh system level cost for an EV battery. This cost target can be met with moderate risk through pairing silicon-based high capacity anodes with lithium metal-rich nickel manganese cobalt oxide 'LMR-NMC' cathodes. For this set of assumptions, the silicon anode active material cost would need to be <$25/kg. The Navitas µpSi powder manufacturing process will reach this target through a combination of low-cost commodity raw materials and reactants with scalable and low environmental impact processes. Processing will involve mechanical milling and thermal reduction operations that are in wide application at industrial scale. The goal of this program is to reach most or all of the MRL 6 criteria in a pilot scale demonstration for the manufacturing of porous silicon powder, while minimizing raw material added cost and limiting hazardous and environmental impact and using scalable industrial processing (i.e. mechanical milling, thermal reduction). The Navitas μpSi fabrication process represents a novel approach to reduce the cost of silicon anode material manufacturing. This process has been shown to be more efficient (higher yield) and economical on scaling up than conventional metal-assisted etching. The process significantly reduces the cost on $/mAh basis versus existing anode materials. The μpSi powders can be modified to form nanocomposite structures through blending with graphite or coating with carbon or a metal oxide to decrease initial capacity loss (ICL) and improve cell cycle life, a key barrier to adoption of silicon anodes into EV batteries. The impact of this technology will be driven by the projected rate of EV adoption and market share. By reducing battery cost, the proposed technology will stimulate EV adoption rate. Assuming this technology enables capturing an additional 6% of the present PHEV + EV market the reduction in petroleum consumption would be 90,000 gallons of gasoline per day, or 1.6M barrels per year. The carbon emissions from a gallon of gasoline = 2.4 kg/gallon. Thus, if the proposed technology was incorporated into just 0.1% of all new vehicles produced and if all the electricity to power those electric-drive vehicles was produced from clean, renewable sources such as wind and solar, it would result in 15K metric tons/yr reduction of CO2 emissions.

25 ENERGY STORAGE↗

DOE OSTI2020

Theory Manual for the Fuel Cycle Analysis Code REBUS

REBUS is a system of programs designed for the fuel cycle analysis of fast reactors and accelerator-driven systems. The first version of REBUS was developed in 1970 for calculating the equilibrium operating conditions of liquid metal fast breeder reactors. During the past five decades, various extensions and refinements have been made in the simulation of material motions in fuel cycle facilities and the solution of the neutronics and isotopic transmutation equations that govern the reactor behavior. The latest version complies with the standard code practices and interface dataset specifications of the committee on computer code coordination (CCCC). This report provides a detailed description of the physical processes and their mathematical models and solution methods of the current production version of REBUS. The models of the facilities and physical processes involved in fast reactor fuel cycle are first discussed. Then the mathematical formulation of these physical models is presented, followed by detailed discussions of solution methods of the resulting set of equations. Finally the output edit quantities are discussed along with their definitions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

Stages of Mechanical Alloying in Systems with Different Solubility Cu–Zn and Au–Co in the Case of Cold and Low-Temperature Deformation by Torsion Under Pressure

Methods of X-ray structural analysis and durometry, as well as electron microscopy were used to identify the stages of mechanical alloying in the case of torsion under high quasi-hydrostatic pressure on Bridgman anvils in the Cu–Zn and Au–Co systems that have different mutual solubility and enthalpy of mixing. It was established that decrease in temperature of mechanical alloying from room temperature (cold deformation) to the boiling temperature of liquid nitrogen (80 К, low-temperature deformation) has a considerable impact on mechanical alloying at different processing stages and on characteristics of an alloy synthesized by deformation. In the Cu–Zn system, when the ratio of powder components corresponds to the solid solution of α-brass in equilibrium state, as deformation increased, one observed consecutive change of evolution stages of the powder mix to the state of copper-based solid solution. At the same time, when processing temperature decreases, larger deformation is required to achieve analogous structural changes. In the Au–Co system characterized by absence of solubility at room and lower temperatures, one also observes the stages of powder mix evolution with the increase in deformation. However, complete dissolution occurs in the case of processing at 80 К, while larger deformation is required in the case of increase in mechanical alloying temperature. The paper examines possible mechanisms of solid solution formation in the system of components that are mutually insoluble under equilibrium conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Compatibility Study of Nanofiltration and Reverse Osmosis Membranes with 1 Cyclohexylpiperidenium Bicarbonate Solutions

The switchable polarity solvent forward osmosis (SPS FO) desalination process requires use of a polishing filtration step to remove trace quantities of draw solution from the product water stream. Selected nanofiltration (NF) and reverse osmosis (RO) membranes were tested for their ability to recover water from 1-cyclohexylpiperidenium bicarbonate solutions in this application. This submission includes the experimental data used to calculate NF and RO membrane flux-normalized net driving pressure (FNNDP) and flux-normalized rejection (FNR) performance in recovering water from 1-cyclohexylpiperidenium bicarbonate solutions. This data is further described and visualized in the manuscript entitled "Compatibility study of nanofiltration and reverse osmosis membranes with 1 cyclohexylpiperidenium bicarbonate solutions" (see attached Compatibility Study Manuscript).

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

Embedding Equality Constraints of Optimization Problems into a Quantum Annealer

Quantum annealers such as D-Wave machines are designed to propose solutions for quadratic unconstrained binary optimization (QUBO) problems by mapping them onto the quantum processing unit, which tries to find a solution by measuring the parameters of a minimum-energy state of the quantum system. While many NP-hard problems can be easily formulated as binary quadratic optimization problems, such formulations almost always contain one or more constraints, which are not allowed in a QUBO. Embedding such constraints as quadratic penalties is the standard approach for addressing this issue, but it has drawbacks such as the introduction of large coefficients and using too many additional qubits. In this paper, we propose an alternative approach for implementing constraints based on a combinatorial design and solving mixed-integer linear programming (MILP) problems in order to find better embeddings of constraints of the type Σ x i = k for binary variables x i . Our approach is scalable to any number of variables and uses a linear number of ancillary variables for a fixed k.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Markov Chain Monte Carlo Predictions of Neutron-rich Lanthanide Properties as a Probe of r -process Dynamics

Lanthanide element signatures are key to understanding many astrophysical observables, from merger kilonova light curves to stellar and solar abundances. To learn about the lanthanide element synthesis that enriched our solar system, we apply the statistical method of Markov Chain Monte Carlo to examine the nuclear masses capable of forming the r-process rare-earth abundance peak. We describe the physical constraints we implement with this statistical approach and demonstrate the use of the parallel chains method to explore the multidimensional parameter space. We apply our procedure to three moderately neutron-rich astrophysical outflows with distinct types of r-process dynamics. We show that the mass solutions found are dependent on outflow conditions and are related to the r-process path. We describe in detail the mechanism behind peak formation in each case. We then compare our mass predictions for neutron-rich neodymium and samarium isotopes to the latest experimental data from the CPT at CARIBU. Here, we find our mass predictions given outflows that undergo an extended (n,γ)⇌(γ,n) equilibrium to be those most compatible with both observational solar abundances and neutron-rich mass measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Transitions From Stochastic to Point Kinetics Models In Fissile Solutions

Fissile solutions form an integral part of the fuel cycle, being used to store and process both fresh fuel and waste. Fissile solutions are also found within Aqueous Homogeneous Reactors (AHRs) including research reactors such as CRAC and SILENE and also potential future systems which could be used for the production of medical isotopes. In the case of fissile solutions in the fuel cycle, avoiding criticality is a priority but accidents have occurred in which a significant number of fissions occurred. In the case of AHRs, a sustained neutron population and fission rate is desired. In both cases the ability to simulate transients where changes in reactivity cause the neutron population to increase are important. A popular method for the simulation of such transients is the point kinetic method which allows the capture of the major features of a transient at a fraction of the computational runtime and code complexity of more comprehensive modelling technologies. A limitation of the point kinetics method and other mainstream methods of predicting neutron behaviour is that they assume the neutron population is large enough that the mean behaviour will be observed. When the neutron population is low, however, the deviation around the mean behaviour is expected to be relatively large as there is an aleatoric uncertainty arising from the uncertain fate of individual neutrons. Such limitations are of particular importance when the reactivity of a system is rapidly increasing while the neutron population is low, which is often true in accident scenarios involving fissile solutions. This provides the motivation for the coupling of point kinetics and a probabilistic models of fissile solutions. This summary aims to explore some of the behaviours resulting from a low neutron population and rising reactivity using a coupled probabilistic and point kinetics model of a fissile solution. As the effects of a low neutron population are the primary concern of this summary, the point kinetics and thermal hydraulic models used will be relatively simple but these models should be sufficient to capture the most important behaviours of the system in the first minute or so of a transient. This work is an extension of the work found in [1]. In that work the methodology was applied to fast pulses produced by systems such as Godiva and its results were found to compare favourably to experimental and analytical results, such as the burst wait time, in [2]. This work focuses on the application of this methodology to a fissile solution but the method could be applied to a number of criticality safety or reactor operation scenarios through suitable modification of the point kinetics model and would produce a more accurate prediction of the peak power obtained when a system first becomes critical compared to the use of a standard point kinetics model. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

High-salinity brine desalination with amine-based temperature swing solvent extraction: A molecular dynamics study

Solvent extraction desalination (SED) is a promising technique for efficiently treating high salinity brines. However, only a few studies in the literature have investigated the influence of the molecular characteristics of the organic solvents on the emergent performance of the separation process. Thus, in this work we investigate the influence of the molecular structure of four different secondary amines on the desalination process of a concentrated aqueous solution of NaCl. Molecular dynamics simulations and free energy calculations are used to obtain the thermodynamic and structural properties of the pure solvent bulk phase, as well as a homogeneous solvent-water bulk mixture. Furthermore, solvent-water and solvent-brine interfacial systems are used to explicitly analyze the water partitioning behavior in the relevant temperature range for SED. The water solubilization in these secondary amines is found to be an exothermic process. Additionally, although the hydrogen-bonding interaction between the water and solvent molecules are beneficial, this interaction is not necessarily the dominant factor for ranking the water solubility performance of the different solvents. Finally, the excess volume of mixing of the bulk solvent-water mixture, as well as the electrostatic surface features of the solvents are also found to provide important clues for screening solvent behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Tracking reaction dynamics in solution by pump–probe X-ray absorption spectroscopy and X-ray liquidography (solution scattering)

Characterization of transient molecular structures formed during chemical and biological processes is essential for understanding their mechanisms and functions. Over the last decade, time-resolved X-ray liquidography (TRXL) and time-resolved X-ray absorption spectroscopy (TRXAS) have emerged as powerful techniques for molecular and electronic structural analysis of photoinduced reactions in the solution phase. Both techniques make use of a pump–probe scheme that consists of (1) an optical pump pulse to initiate a photoinduced process and (2) an X-ray probe pulse to monitor changes in the molecular structure as a function of time delay between pump and probe pulses. TRXL is sensitive to changes in the global molecular structure and therefore can be used to elucidate structural changes of reacting solute molecules as well as the collective response of solvent molecules. On the other hand, TRXAS can be used to probe changes in both local geometrical and electronic structures of specific X-ray-absorbing atoms due to the element-specific nature of core-level transitions. These techniques are complementary to each other and a combination of the two methods will enhance the capability of accurately obtaining structural changes induced by photoexcitation. Here we review the principles of TRXL and TRXAS and present recent application examples of the two methods for studying chemical and biological processes in solution. Furthermore, we briefly discuss the prospect of using X-ray free electron lasers for the two techniques, which will allow us to keep track of structural dynamics on femtosecond time scales in various solution-phase molecular reactions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2022

Plasma Wall Interaction with 3-D Plasma Boundaries

The interaction of the edge plasma and the material surfaces is one of the most critical challenges on the path to harness fusion power as new, fundamental energy source. This challenge typically combines the thrust to reach high density, low temperature (detached) plasmas in front of the divertor target plates as well as understanding the plasma material interaction (PMI) in particular in this regime. The combination of both research thrusts represents an extraordinarily challenging subject encompassing spatial scales spanning nanometers to meters in all states of matter and across a broad energy range. Modeling capabilities, which help to interpret data from nowadays experiments and enable extrapolation to future devices are urgently required. This is in particular true for toroidal magnetic confinement devices with three-dimensional (3D) plasma boundaries. Such plasma boundary geometries occur in tokamaks, when small amplitude magnetic perturbations are used to stabilize the unruly edge plasma or in stellarators, that are inherently 3D plasma confinement devices. In this project, the impact of 3D plasma boundaries on the plasma material interaction (PMI) was assessed. This work focused on plasma boundary conditions, in which high-density conditions at the material surfaces yield mitigation of the otherwise immense heat and particle loads that these materials would see. These so-called high recycling and eventually detached plasma regimes are of great interest for future reactor operation. In the project, key features that are unique to 3D boundaries were explored in comparison to canonically assumed axisymmetric plasma edge situations in tokamaks. In particular, the relevance of the 3D boundary situation in the extrapolation to the plasma boundary solution at ITER, the next step fusion energy experiment under construction as a multi-national, world-wide large-science experiment in southern France, has been explored. The EMC3-EIRENE plasma edge fluid and kinetic neutral transport code has been advanced to cope with the challenging and unprecedented conditions in the ITER boundary plasma including 3D fields that are planned to be used to suppress harmful edge instabilities, the so-called edge localized modes. This is a vital integration challenge for ITER and the results from this grant have provide a leading capability for this assessment. It was shown that the detachment process in a 3D edge solution for ITER follows the recycling regimes that are known from axisymmetric solutions, but that multiple plasma exhaust channels connected to the material surfaces are established which feature individual recycling characteristics. Because these channels touch the material surfaces in the divertor in a 3D geometry, the compatibility with the plasma material interaction (PMI), including erosion and impurity generation has been found to be an important part of the integration challenge. To address this, the fully 3D plasma material interaction code ERO2 has been adapted to these ITER specific geometries and a homogeneous mixing model was implemented, that allows to consider the mixing of Be and Was used at ITER in the PMI modeling. This model enhancement has been used to study non-local migration of Be in the JET ITER like wall configuration and it has been shown that with this model such complex migration processes in ITER relevant plasma shapes and with ITER relevant plasma boundary conditions can be addressed. The combined modeling approach using EMC3-EIRENE as a plasma boundary transport code and the ERO2 specialized PMI model will be an asset for the continued preparations of ITER operation as well as for Fusion Pilot Plant efforts that have emerged in the U.S. during the evolution of this grant. The predictive capability of this numerical tool has been validated at the DIII-D US national fusion facility. Here, dedicated plasma edge diagnostics were implemented to measure the impurity household around a 3D edge plasma during ELM suppression by 3D fields. Dedicated experiments with local material probes using these diagnostics and the state-of-the-art suite of boundary measurements at DIII-D have shown that the 3D perturbation of the plasma edge that is excreted by such 3D control fields yield a perturbation of the plasma boundary flux structure and hence also of the resulting PMI. The 3D boundary plasma is composed out of helical magnetic flux channels that intersect the divertor targets at an angle relative to the main guiding field, i.e., the toroidal magnetic field component of the tokamak. A similar effect has been measured as well on limiter surfaces during the startup campaign at the new stellarator experiment Wendelstein 7-X. These experiments ad initial analysis with the ERO plasma material interaction model, suggested that the place of erosion for a given particle from the surface and its re-deposition can be different in such 3D field geometries yielding potentially a significant level of net-erosion. This is not the case for axisymmetric solutions, where it was shown in the past that the eroded particles are effectively re-deposited into gaps produced by erosion at the same position and hence the net-erosion levels are small. For ITER, the quest to suppress the ELMs and at the same time maintain the integrity of the divertor is an issue, which these fundamental findings will help to resolve. The coupling of this work to the extrapolation in the ITER program has been addressed by both the PI and the lead numerical scientist being ITER Science Fellows in the duration of the contract and forward. A second focus in the exploration of 3D boundary effects on tokamaks and stellarators has been set on the measurement of helium exhaust features with such 3D fields. This is important because He represents the ash of the fusion process and needs to be exhausted. It was shown that 3D field application compatible with suppression of ELMs yields an increase of the helium exhaust performance. The ratio of the effective helium confinement time over the energy confinement time was reduced by almost 50% which demonstrated that the impact of helium accumulation in the plasma core with respect to the confinement of energy to sustain the fusion reaction is significantly improved with such 3D control fields. It was shown that this is the case for tokamaks as well as stellarators. At the Large helical Device in Japan, a similar enhancement of the helium exhaust features when small amplitude additional 3D fields were applied was measured. This is an important additional function of 3D field application and its impact on ITER is presently being studied in combination with investigations of helium exhaust in 3D field geometries of stellarator devices.

3D plasma edge transport↗

DOE OSTI2015

Chemical decontamination of a primary coolant system using hydrazine based solutions - 15215

For the decontamination of primary coolant system, we have developed a new chemical decontamination process named HYBRID (Hydrazine Based Reductive metal Ion Decontamination) which is not containing organic chelates and organic acids. In the first phase to develop HYBRID process, dissolution tests of magnetite using hydrazine based chemical solutions were carried out in various conditions. We found out the effects of parameters such as the concentration of hydrazine, solution pH, temperature, and the addition of transition metal ions on the dissolution behavior. We suggested the concept of HYBRID process with the dissolution mechanism by the complex formation between hydrazine and copper ions, and the reducing power of the hydrazine copper coordination compound to the ferric ions in magnetite. In the second phase to verify the performance of HYBRID process, the chemical decontamination tests using HYBRID coupled with NP were carried out with radioactive specimen taken from the fuel test loop in which operating conditions are same as those in pressurized water reactor. The contact does rate was greatly decreased after the repetitive application of NP and HYBRID. In addition, the corrosion compatibility of the structural material and the decomposition of hydrazine to reduce the secondary waste have been investigated. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Advanced Brine Processing to Enable U.S. Lithium Independence (CRADA Report)

Current production of LiOH, which is needed to make Li-ion battery cathode active materials, utilizes a multistep process including solar evaporation, precipitation with Na 2 CO 3 and then conversion to LiOH using Ca(OH) 2 . This process requires a large amount of land area for solar evaporation, the right weather conditions, and chemicals for the conversion process that result in NaCl and CaCO 3 waste products. The production of Ca(OH) 2 is very energy intensive and evolves significant quantities of CO 2 . An alternative process flow utilizing direct lithium extraction techniques, followed by a chemical free conversion process can have benefits in reducing the needed land requirements and chemicals for traditional brine processing. There are many potential direct lithium extraction technologies that are currently being developed. The direct lithium extraction process from typical brine sources will produce a LiCl solution with some impurities including typically high concentrations of Na. This brine then needs to be converted to LiOH for use in battery cathode production. Ideally this conversion could occur without the use of additional chemicals. Electrochemistry can do this conversion either via electrolysis or bipolar membrane electrodialysis (BPED) to produce LiOH and HCl in solution. BPED utilized bipolar membranes to split water, which has a reduced potential as compared to splitting water at electrodes into hydrogen and oxygen gas. This reduced potential required results in a significant energy savings for BPED over electrolysis methods. This CRADA project aimed to develop such an integrated process using direct lithium extraction followed by BPED to produce a LiOH solution. That solution can then be crystallized into battery grade LiOH. In particular, Albemarle utilized a direct lithium extraction process to produce a concentrated LiCl solution that could be used for the BPED process. The BPED process was first tested using various LiCl solutions with impurity ions added at bench scale to understand the effects of impurities and determine processing parameters. Then testing was performed using the direct lithium extracted brine at the bench scale before scaling the process up. After the process was scaled up a long duration test was carried out to estimate the lifetime of the membranes, which is key to the economics of the BPED process.

25 ENERGY STORAGE↗

DOE OSTI2026

Designing a Robust MEA-Based Post-Combustion Carbon Capture Process with Capture Rate Guarantees

This work presents an application of the nonlinear two-stage robust optimization solver PyROS to the model-based design and operation of a monoethanolamine scrubbing process for CO2 capture under epistemic uncertainty. Through this application, risk-averse process designs are successfully obtained for CO2 capture targets ranging from 90% to over 99%. In particular, the risk-averse solutions for CO2 capture targets of up to 98% are shown to be only marginally more expensive than their nominally optimal counterparts. Thus, the results demonstrate the utility of recently developed nonlinear robust optimization approaches for the solution of large-scale chemical process models under uncertainty.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2021

Modification of Wool Fibers via Base/Cationic Detergent Pretreatment and Transglutaminase-mediated Reaction of Keratin

The surface modification of wool fibers is an important part of the textile industry to add functionality and stability to wool products. In this study, we developed a process utilizing a base/cationic surfactant solution pretreatment followed by an enzyme-mediated keratin crosslinking reaction to modify the wool fibers. Changes in water contact angle demonstrated the successful transformation of the hydrophobic wool surface to a more hydrophilic one after soaking in sodium carbonate solution containing hexadecyltrimethylammonium bromide (CTAB). The treated fabrics were further characterized by colorimetry and fluorescent spectrometry. Results showed that the pretreatment increased the yellowness of fabrics and caused some structural changes among certain amino acids, such as tryptophan and cystine. Keratin extracted from coarse wool fibers was further applied on pretreated fabrics through a microbial transglutaminase (mTGase) mediated reaction under mild conditions. Morphological characterization via SEM demonstrated the effective coverage of keratin on the scales of wool. The current method may provide an alternative processing protocol to modify wool fibers and improve the quality and performance of wool products.

36 MATERIALS SCIENCE↗