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At least 1,009 records · Page 56

Probing intermediate temperature heat release in autoignition of C3-C4 iso-alcohol/gasoline blends

In this work, we report an experimental and modeling study on the blending effects of C3–C4 iso-alcohols, namely iso-propanol and iso-butanol, on the characteristics of intermediate temperature heat release (ITHR) for a research-grade gasoline (FACE-F) in a rapid compression machine operating at diluted/stoichiometric fuel loading, compressed pressure of 43 bar, and compressed temperatures from 700 to 970 K. Changes in ITHR behavior are characterized through ITHR extent and evolution at 0 to 30 vol% iso-alcohol blending levels. Experimental observations reveal the strong promoting and decelerating effects on ITHR extent and evolution, respectively, within the low-temperature regime for both iso-alcohols, with stronger effects seen for iso-propanol; within the intermediate-temperature regime, the influence of both iso-alcohols diminishes greatly. Comprehensive chemical kinetic modeling is undertaken using a recently developed gasoline surrogate/alcohol model in conjunction with a five-component gasoline surrogate (FGF-LLNL), with good agreement obtained with the experiments for all the blends. Sensitivity, rate of production and flux analyses highlight the importance of chemical kinetic interactions via both fuel-specific and non-fuel-specific reactions. Disabling all the chemical kinetic interactions between iso-alcohol and FGF-LLNL in carbonated/non-fuel-specific species leads to somewhat extended ITHR duration and reduced ignition reactivity. Direct comparison between FGF-LLNL/iso-propanol and FGF-LLNL/iso-butanol blends is also made, where iso-propanol and iso-butanol are found to influence ITHR characteristics via significantly different chemical kinetic interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Revealing the coupled oxygen and hypochlorite chemistry in saltwater batteries through operando pH and oxygen monitoring

Saltwater batteries (SWBs) that utilize Na⁺ ions from seawater have emerged as promising candidates for low-cost and sustainable grid-scale energy storage. To date, the cathode reaction mechanism of SWBs has been predominantly described by oxygen evolution and reduction reactions (OER/ORR). However, this assumption is valid only under idealized ocean-like conditions with constant pH and continuous oxygen replenishment. In practical systems, SWBs operate in finite volumes of saltwater, where saltwater composition dynamically evolves during cycling. Here, in this work, we systematically investigate the cathode reaction mechanisms of SWBs under finite saltwater conditions using galvanostatic cycling combined with electrochemical diagnostics and operando monitoring of dissolved oxygen and pH. Our results reveal that the cathode chemistry during SWB operation is considerably more complex than previously assumed. In addition to OER and ORR, hypochlorite formation and consumption reactions, along with pH-dependent switching of dominant reaction pathways, play critical roles. We further identify the sequence and relative contributions of these reactions throughout charge–discharge cycling. These findings provide a comprehensive and mechanistically grounded understanding of SWB cathode processes under relatively realistic cell design and operation condition. The insights presented here establish a new framework for interpreting SWB electrochemistry and offer directions for future strategies aimed at improving performance, stability, and practical viability.

Hypochlorite redox reaction↗

Mathematical modeling of novel porous transport layer architectures for proton exchange membrane electrolysis cells

Thin foil based porous transport layers (PTLs) that contain highly structured pore arrays have shown promise as anode PTLs in proton exchange membrane electrolysis cells. These novel PTLs, fabricated with advanced manufacturing techniques, produce thin, tunable, multifunctional layers with reduced flow and interfacial resistances and high thermal and electric conductivities. To further optimize their design, it is important to understand their fundamental impact on the transport of protons, electrons, and liquid/vapor mixtures in the electrode. In this work, we develop a two-dimensional multiphysics model to simulate the coupled electrochemistry and multiphase transport in an electrolysis cell operated with the novel PTL architecture. The results show that larger pores improve access of water to the anode catalyst layer, which is beneficial for both the oxygen evolution reaction and membrane hydration. Larger pore sizes also improve oxygen gas transport from the catalyst layer, because generated oxygen gas is forced to travel in-plane through the anode catalyst layer until it reaches a pore opening that is connected to a channel. The discussed results confirm that the proposed thin foil based PTLs are fundamentally different from conventional PTLs, such as felts or layered meshes. The model developed in this work also provides generalizable insight into fundamental PEMEC phenomena, such as the competition between liquid and gas phase transport, membrane hydration and water management, and nonuniform electrochemical reactions, which are processes relevant to all PEMEC designs.

25 ENERGY STORAGE↗

Detailed assessment of diesel spray atomization models using visible and X-ray extinction measurements

The physical mechanisms characterizing the breakup of a diesel spray into droplets are still unknown. This gap in knowledge has largely been due to the challenges of directly imaging this process or quantitatively measuring the outcomes of spray breakup, such as droplet size. Recent x-ray measurements by Argonne National Laboratory, utilized in this work, provide needed information about the spatial evolution of droplet sizes in selected regions of the spray under a range of injection pressures (50–150 MPa) and ambient densities (7.6–22.8 kg/m3) relevant for diesel operating conditions. Ultra-small angle x-ray scattering (USAXS) measurements performed at the Advanced Photon Source are presented, which quantify Sauter mean diameters (SMD) within optically thick regions of the spray that are inaccessible by conventional droplet sizing measurement techniques, namely in the near-nozzle region, along the spray centerline, and within the core of the spray. To quantify droplet sizes along the periphery of the spray, a complementary technique is proposed and introduced, which leverages the ratio of path-integrated x-ray and visible laser extinction (SAMR) measurements to quantify SMD. The SAMR and USAXS measurements are then utilized to evaluate current spray models used for engine computational fluid dynamic (CFD) simulations. We explore the ability of a carefully calibrated spray model, premised on aerodynamic wave growth theory, to capture the experimentally observed trends of SMD throughout the spray. The spray structure is best predicted with an aerodynamic primary and secondary breakup process that is represented with a slower time constant and larger formed droplet size than conventionally recommended for diesel spray models. Additionally, spray model predictions suggest that droplet collisions may not influence the resultant droplet size distribution along the spray centerline in downstream regions of the spray.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Probing the Failure Mechanism of SnO{sub 2} Nanowires for Sodium-Ion Batteries

Nonlithium metals such as sodium have attracted wide attention as a potential charge carrying ion for rechargeable batteries. Using in situ transmission electron microscopy in combination with density functional theory calculations, we probed the structural and chemical evolution of SnO{sub 2} nanowire anodes in Na-ion batteries and compared them quantitatively with results from Li-ion batteries (Huang, J. Y.; et al. Science 2010, 330, 1515-1520). Upon Na insertion into SnO{sub 2}, a displacement reaction occurs, leading to the formation of amorphous Na{sub x}Sn nanoparticles dispersed in Na{sub 2}O matrix. With further Na insertion, the Na{sub x}Sn crystallized into Na{sub 15}Sn{sub 4} (x = 3.75). Upon extraction of Na (desodiation), the Na{sub x}Sn transforms to Sn nanoparticles. Associated with the dealloying, pores are found to form, leading to a structure of Sn particles confined in a hollow matrix of Na{sub 2}O. These pores greatly increase electrical impedance, therefore accounting for the poor cyclability of SnO{sub 2}. DFT calculations indicate that Na{sup +} diffuses 30 times slower than Li{sup +} in SnO{sub 2}, in agreement with in situ TEM measurement. Insertion of Na can chemomechanically soften the reaction product to a greater extent than in lithiation. Therefore, in contrast to the lithiation of SnO{sub 2} significantly less dislocation plasticity was seen ahead of the sodiation front. This direct comparison of the results from Na and Li highlights the critical role of ionic size and electronic structure of different ionic species on the charge/discharge rate and failure mechanisms in these batteries.

25 ENERGY STORAGE↗

A variational eigenvalue solver on a photonic quantum processor

Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer. For quantum systems, where the physical dimension grows exponentially, finding the eigenvalues of certain operators is one such intractable problem and remains a fundamental challenge. The quantum phase estimation algorithm efficiently finds the eigenvalue of a given eigenvector but requires fully coherent evolution. Here we present an alternative approach that greatly reduces the requirements for coherent evolution and combine this method with a new approach to state preparation based on ansa¨tze and classical optimization. We implement the algorithm by combining a highly reconfigurable photonic quantum processor with a conventional computer. We experimentally demonstrate the feasibility of this approach with an example from quantum chemistry—calculating the ground-state molecular energy for He–H þ . The proposed approach drastically reduces the coherence time requirements, enhancing the potential of quantum resources available today and in the near future.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Visualization of the strain-induced topological phase transition in a quasi-one-dimensional superconductor TaSe 3

Control of the phase transition from topological to normal insulators can allow for an on/off switching of spin current. While topological phase transitions have been realized by elemental substitution in semiconducting alloys, such an approach requires preparation of materials with various compositions. Thus it is quite far from a feasible device application, which demands a reversible operation. In this work, we use angle-resolved photoemission spectroscopy and spin- and angle-resolved photoemission spectroscopy to visualize the strain-driven band-structure evolution of the quasi-one-dimensional superconductor TaSe 3 . We demonstrate that it undergoes reversible strain-induced topological phase transitions from a strong topological insulator phase with spin-polarized, quasi-one-dimensional topological surface states, to topologically trivial semimetal and band insulating phases. The quasi-one-dimensional superconductor TaSe 3 provides a suitable platform for engineering the topological spintronics, for example as an on/off switch for a spin current that is robust against impurity scattering.

36 MATERIALS SCIENCE↗

Electrochemical flow cell enabling operando probing of electrocatalyst surfaces by X-ray spectroscopy and diffraction

The rational improvement of current and developing electrochemical technologies requires atomistic understanding of electrode–electrolyte interfaces. However, examining these interfaces under operando conditions, where performance is typically evaluated and benchmarked, remains challenging, as it necessitates incorporating an operando probe during full electrochemical operation. In this study, we describe a custom electrochemical flow cell that enables near-surface-sensitive operando investigation of planar thin-film catalysts at significant hydrogen evolution reaction (HER) rates (in excess of -100 mA cm-2) using grazing incidence X-ray methods. Grazing-incidence X-ray spectroscopy and diffraction were implemented on the same sample under identical HER conditions, demonstrating how the combined measurements track changing redox chemistry and structure of Cu thin-film catalyst surfaces as a function of electrochemical conditions. The coupling of these methods with improved mass transport and hydrodynamic control establishes a new paradigm for operando measurement design, enabling unique insights into the key fundamental processes occurring at the catalyst–electrolyte interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Operational resilience metrics for power systems with penetration of renewable resources

Abstract Modern power grid is evolving towards carbon neutrality by deploying increasing amount of renewable energy resources. However, the impact of renewable generation on power system planning and operation is not sufficiently investigated, especially the capability of renewable penetrated power systems to resist and recover from major disturbances, which is a critical concern for system operators. Novel metrics and evaluation methodologies are needed to depict systems’ ability in response to events caused by natural disasters, and quantitatively evaluate system performance in various time scales. In this paper, operational resilience metrics are proposed for power systems with penetration of renewable energy resources based on transient stability principles. A systematic methodology is proposed to quantitatively assess the evolution of system performance during various stages of the disaster process. Based on the proposed metrics, a resilience‐oriented disaster management strategy is designed and validated using the modified IEEE 39‐bus test system. The simulation results demonstrate the validity of the proposed metrics and strategy, and show that the system resilience is enhanced during the mitigation of fault conditions.

Gui, Jianzhong↗

Fracture Toughness Characterization of Highly irradiated Reactor Pressure Weld from the ATR-2 Experiment

The UCSB ATR-2 irradiation experiment is designed to generate a new database on a wide variety of irradiated reactor pressure vessel (RPV) steels to fill a critical gap in predicting high fluence embrittlement for extended plant operation up to 80 years. A major focus in this experiment is to characterize the effects of irradiation temperature, neutron flux and fluence, and alloy chemistry on MNSP evolution, and model how these features impact hardening and embrittlement, manifested as shifts in ductile-to-brittle transition temperature. As part of these efforts, disk compact tension (DCT) specimens of three representative materials were included in the ATR-2 experiment to have direct measurement of transition fracture toughness shift and, thus, to have some benchmark data to compare outcoming predictive models with actual fracture toughness shifts. In addition, the attempts would be made to use these fracture toughness data to address the potential effect of high dose irradiation on the shape of the Master Curve for highly embrittled RPV material.This report provides data for the fracture toughness characterization of highly embrittled weld from Palisades steam generator.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Adaptive Control for Load-Following of Boiling Water Reactors Part I: Linear Systems and Fully-Observable Dynamics

Automation control is a key strategy to improve the economic competitiveness of nuclear power plants. Not only does it help reduce operational costs, but it also extends the value proposition of these plants to nontraditional markets, including unattended operations in remote villages and space. However, the dynamics of the operating environments of nuclear reactors are subject to changes over time, and there are no widely adopted methods to ensure that the automation strategy will remain effective over the extended durations required for these applications. Adaptive control is a discipline that offers the possibility to accommodate such changes online. However, it relies on mathematical assumptions that must be respected to ensure robustness and reliability. In this work, we derive an adaptive control formulation for linear systems in which all states are observable and apply it to an instance of load-follow operation for Boiling Water Reactors. We assumed uncertainty in two factors: the temperature coefficient and the control rod worth, both of which are affected over time by the evolution of the nuclear reactor core environment. With an arbitrary penalty factor of 5, we found that the mean absolute and integral time absolute errors can be reduced by more than 90%, underscoring the strength of adaptive control. To extend the application to more challenges, different uncertainties and load-follow trajectories, as well as new formulations that include non-linearity and partial observability, are currently being developed.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Integrating Immersive Visualization in Molten-Salt Reactor Waste Management for Experimental Design and Planning

Molten-salt reactors (MSRs) represent a promising solution for next-generation nuclear energy, offering advantages in safety, fuel efficiency, and waste minimization. However, their liquid-fueled design presents unique challenges for spent fuel management, making post-shutdown waste characterization essential for developing effective strategies. Despite this need, there is a notable absence of visualization platforms specifically tailored to the unique characteristics and analytical requirements of MSR waste management. Existing tools in the nuclear industry are primarily designed for reactor operations or generic data exploration and lack both integration with MSR-specific multiphysics frameworks and the ability to simultaneously visualize time-dependent thermal fields, chemical composition evolution, and radiation distribution patterns. To address these limitations, this paper presents an immersive virtual reality (VR) visualization platform that processes and displays high-fidelity multiphysics simulation output from the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework in real-time, using Unity. The platform visualizes MSR waste characteristics such as nuclide decay, salt cooling, and corrosion by using Exodus II output data and running on a VR headset. It includes a user-friendly interface with features such as visibility toggling, cross-sectional slicing, and time-series animation for exploring simulation data. These capabilities support experimental design, stakeholder engagement, and public communication by making complex reactor behavior more accessible and understandable. By enhancing spatial reasoning and reducing cognitive load, this immersive environment fosters more effective communication and decision-making in MSR waste management.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Renormalization and scale evolution of the soft-quark soft function

Soft functions defined in terms of matrix elements of soft fields dressed by Wilson lines are central components of factorization theorems for cross sections and decay rates in collider and heavy-quark physics. While in many cases the relevant soft functions are defined in terms of gluon operators, at subleading order in power counting soft functions containing quark fields appear. We present a detailed discussion of the properties of the soft-quark soft function consisting of a quark propagator dressed by two finite-length Wilson lines connecting at one point. This function enters in the factorization theorem for the Higgs-boson decay amplitude of the h → γγ process mediated by light-quark loops. We perform the renormalization of this soft function at one-loop order, present a conjecture for its two-loop anomalous dimension and discuss solutions to its renormalization-group evolution equation in momentum space, in Laplace space and in the “diagonal space”, where the evolution is strictly local in the momentum variable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Effect of maturity and mineralogy on fluid-rock reactions in the Marcellus Shale

Natural gas extraction from the Appalachian Basin has significantly increased in the past decade. The push to properly dispose, reuse, or recycle the large amounts of produced fluids associated with hydraulic fracturing operations and design better fracturing fluids has necessitated a better understanding of the subsurface chemical reactions taking place during hydrocarbon extraction. Using autoclave reactors, this study mimics the conditions of deep subsurface shale reservoirs to observe the chemical evolution of fluids during the shut-in phase of hydraulic fracturing (HF), a period when hydraulic fracturing fluids (HFFs) remain confined in the reservoir. The experiment was conducted by combining a synthetic hydraulic fracturing fluid and powdered shale core samples in high temperature/pressure static autoclave reactors for 14 days. Shale samples of varying maturity and mineralogy were used to assess the effect of these variations on the proliferation of inorganic ions and low molecular weight volatile organic compounds (VOCs), mainly benzene, toluene, ethylbenzene and xylenes (BTEX) and monosubstituted carboxylic acids. Ion chromatography results indicate that the relative abundance of ions present was similar to that of water produced from HF operations in the Marcellus Shale basin. There was an increase of SO 4 2- and PO 4 3- and a decrease in Ba 2+ upon fluid-shale reaction. Major ionic shifts indicate calcite dissolution in two of the fluid-shale reactions and barite precipitation in all fluid-shale reactions. Toluene, xylene, and carboxylic acids were produced in the shale-free control experiment. The most substantial increase in BTEX analytes was observed in reactions with low maturity shale, while the high maturity shale reaction produced no measurable BTEX compounds. Total organic carbon decreased in all reactions including fracturing fluid and shale, suggesting adsorption onto the organic matter (OM) matrix. The results from this study highlight that both the nature of OM and mineralogy play a key role in determining the fate of inorganic and organic compounds during fluid–shale interactions in the subsurface shale reservoir. Overall this study aims to contribute to the growing understanding of complex chemical interactions that occur in the shale reservoirs during HF, which is vital for determining the potential environmental impacts of HF and designing more efficient HFF and produced water recycling techniques for environmentally conscious natural gas production.

58 GEOSCIENCES↗

A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles provide scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Wrong signs are alright

It has been shown that some Lorentz-invariant quantum field theories, such as those with higher-dimensional operators with negative coefficients, lead to superluminality on some classical backgrounds. While superluminality by itself is not logically inconsistent, these theories also predict the formation of closed time-like curves at the classical level, starting from initial conditions without such curves. This leads to the formation of a Cauchy Horizon which prevents a complete description of the time evolution of such systems. Inspired by the chronology protection arguments of General Relativity, we show that quantum mechanical effects from low energy quanta strongly backreact on such configurations, exciting unknown short-distance degrees of freedom and invalidating the classical predictions. Thus, there is no obvious low-energy obstruction to the existence of these operators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Integrated Approach to Fluoride High Temperature Reactor Technology and Licensing Challenges (FHR-IRP)

This document constitutes progress made on this project by the Georgia Tech led Integrated Approach to Fluoride High Temperature Reactor Technology and Licensing Challenges (FHR-IRP). This is the first draft of the project final report. Chapter 3 is focused on Tritium management. Tritium management in Fluoride-salt High-temperature Reactors (FHRs) presents a major operational concern and a significant challenge. Tritium is generated via multiple pathways including various interactions in fuel and structural materials, as well as coolant (primarily interaction with lithium and beryllium), leading to a complex evolution and spatial distribution of tritium generation rate. FHR generates orders of magnitude more tritium than in LWRs, and has potential for a significant release, via permeation through structural materials (due to high temperature), and through heat exchanger(s). Therefore, accurate estimate is necessary. For that purpose relevant tritium production pathways were identified. A methodology to obtain space-time dependent tritium generation rate was developed and implemented, employing SCALE and MCNP codes. Detailed models of the reference Advanced High Temperature Reactor (AHTR) design were developed. A multi-parametric metrics was introduced to capture relevant tritium production indicators, including the instantaneous tritium production rate, total tritium production (neglecting subsequent decay), and accumulated tritium production (accounting for the decay). The obtained results will inform tritium management, including the sizing of the components, and to gain insight on the impact of the core design parameters on tritium generation rates. Research effort on Liquid Salt Impurity Removal, Redox and Corrosion Control is discussed in Chapter 4. Section 4.1 is an introduction chapter. Based on the current available knowledge and operation experience on previous MSRs and other types of nuclear reactors, the report identifies the major impurities that are related to either material compatibility, salt properties or radioactive source terms, and the potential contamination sources of these impurities, their transport in the primary coolant loop and available cleanup methodologies for a particular group of impurity. In section 4.2, the available purification methods were discussed, including the liquid/liquid extraction using liquid Bi-Li which has been applied in MSBR and electrochemical purification which is developed based on Pyroprocessing. In this section, the new multi-stage and multi-salt-component was developed and discussed. Section 4.3 discussed the redox potential control for salt chemistry and corrosion mitigation, including the control theory and the soluble/soluble buffer control method. The section also developed method on how to analyze soluble/soluble redox reaction in a molten salt system and designed an electrochemical sensor for redox potential control. Corrosion models were also reported in this section. Section 4.4 focused on how to measure the fundamental properties in a molten salt. As an example, the section focused on La fluoride in the molten salt. The section developed methods on how analyze electrochemical measurement data to obtain the fundamental properties including the redox potential, diffusion coefficient and exchange current density. All these fundamental information is important for salt purification system development. Section 4.5 focused on measurements of corrosion products in the salts. Because of the different behaviors between Cr and La in the salt, new analysis method for Cr fluorides in the salt was developed. Some results for Fe fluoride in the salt and corrosion measurements were also reported. Section 4.6 demonstrated the separation of oxide from the salt. This section also measured the solubility of La 2 O 3 in the salt as function of temperature. Section 4.7 focused on the separation of La and Ce from the molten salt. These two elements were selected because La was found to be separated by using inert electrode, while for separation of Ce, reactive electrode must be selected. Section 4.8 demonstrated the separation iodine ions from the molten salt. Two kinds of working electrode materials (metal W and graphite) were investigated. Section 4.9 focused on the fundamental data of fission products and actinides in liquid Bi. The chapter reviewed the available data, then based a CALPHAD model, the available data were broadened to the concentration-dependent cases.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗