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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Building confidence in models for complex barrier systems for radionuclides

The modeling and simulation of the Cement-clay Interaction-Diffusion field (CI-D) experiment at the Mont Terri site in Switzerland presented here demonstrates that it is possible to capture the multiscale physical and chemical features of natural and engineered barrier systems for radionuclides. The simulations are successfully carried out with the newly developed CrunchODiTi high-performance computing software that accounts for multiple continua, including a continuum representing the electrical double layer (EDL) developed along negatively charged clay particles in clay rock. The simulation also accounts for both the complex three-dimensional (3D) geometry, expected as the norm in a geological waste repository, and the anisotropy of the geological formation. In addition, the high resolution of the model makes it possible to include "skin effects" developed at the interface between highly reactive materials, in this case between the high pH cement and the circumneutral but electrostatic Opalinus Clay. The successful history matching with the field experiment demonstrates that the distinct geochemical and physical properties of the cement and the Opalinus Clay in the CI-D experiment can be accounted for. Such analyses are essential for developing a defensible safety case for the underground storage of radioactive waste.

Sarsenbayev, Dauren↗
DOE OSTI2023

Radionuclide Waste Disposal: Development of Multi-scale Experimental and Modeling Capabilities (Final Report)

The DOE EPSCoR Implementation project “Radioactive waste management: Development of multi-scale experimental and modeling capabilities” helped to develop a team of scientists and engineers from Clemson University, South Carolina State University, and the University of South Carolina to address the disposition of nuclear wastes and study the transport of radioisotopes from a waste repository in the near and far field. The project involved 20 faculty from the three institutions as well as 13 postdoctoral fellows, 32 graduate students, and 32 undergraduate students and was active from 2014-2019. Additionally, we forged new collaborations with nine researchers from DOE laboratories SRNL, LLNL, and ANL as well as the University of Manchester and the China Academy of Engineering Physics. The overarching goal of the project was to understand the conditions under which important classes of co-reactants, ranging from counter ions in crystal lattices to dissolved oxygen in pores, control the chemistry and transport characteristics of radionuclides in engineered waste forms and natural soils. Our approach was to characterize the time and length scales over which non-equilibrium states are maintained by rate-limiting, or rate-enhancing, reactions between radionuclides and co-reactants due to interactions between physical mass-transfer processes (i.e., advection, diffusion) and (biogeo) chemical reactions. We have focused our project on three specific classes of reactions relevant to radionuclide transport at DOE legacy sites: ion exchange/substitution, ligand complexation, and redox-mediated reactions. Understanding radionuclide migration requires detailed knowledge of how changes to a system – whether engineered or natural – drive the behavior of co-reactants, which in turn provide the geochemical context controlling radionuclide transport. Student engagement and training were a primary focus of the project in order to create a pipeline of researchers who could work in the area of nuclear waste disposition to support the state and the nation. Over the duration of the project we worked with 32 undergraduate, graduated 18 M.S. students and 14 Ph.D. students, and advised 13 postdoctoral fellows. The Ph.D students and postdocs have primarily taken positions at DOE laboratories, academia, and industry. Through our collaborative team, numerous follow on projects have been started with over $5M in sponsored research. Additionally, thus far the team has published 53 peer reviewed papers and given over 75 technical presentations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

The Bukov underground research facility as part of the Czech Republic's DGR development programme - 15644

The Czech Republic's deep geological repository (DGR) policy sets out a number of important milestones including the selection of candidate sites by 2018 and the selection of a final site by 2025. The final commissioning of the Czech DGR is planned for 2065. In 2010 a screening process was completed employing geological and other criteria that resulted in the identification of 7 potentially suitable sites, all situated in crystalline - granite host rock environments. The next step of the process will result in a reduction both in the number of sites and the surface area of remaining sites based on preliminary safety evaluations and socioeconomic, political and environmental criteria. In order to better understand the behaviour of crystalline host rock environments for DGR safety case purposes, the Radioactive Waste Repository Authority (RAWRA) made decided to enhance the extent of in-situ measurements and research at a depth corresponding to that of the future DGR. In the second half of 2013, RAWRA commenced the construction of the Bukov Underground Research Facility (Bukov URF) in the southern section of the Rozna uranium mine at a depth of 600 m below the earth's surface in a geologically well-mapped area of a Moldanubic crystalline rock formation which is composed principally of migmatised gneisses, migmatites and granulites. The Bukov URF will be, first and foremost, a research facility at which work will be conducted focusing on the taking of geophysical measurements, petrographic, mineralogic, geochemical research and the in-situ determination of the physical - mechanical, geochemical and hydrogeological properties of the host rock massif. The research results will form input data which will be used to both support and improve the safety of the future DGR. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Analytical solutions to matrix diffusion problems

We report an analytical method to solve in a few cases of practical interest the equations which have traditionally been proposed for the matrix diffusion problem. In matrix diffusion, elements dissolved in ground water can penetrate the porous rock surronuding the advective flow paths. In the context of radioactive waste repositories this phenomenon provides a mechanism by which the area of rock surface in contact with advecting elements is greatly enhanced, and can thus be an important delay mechanism. The cases solved are relevant for laboratory as well for in situ experiments. Solutions are given as integral representations well suited for easy numerical solution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Knowledge Management: FY22 Los Alamos National Laboratory Hydrothermal Lab for Spent Fuel Campaign R&D

The use of Engineered Barrier Systems (EBS) for spent nuclear fuel disposal is being investigated by the U.S. Department of Energy as a part of the Spent Fuel and Waste Disposition (SFWD) Campaign. Such dry spent fuel canisters would be loaded with fuel bundles, and then transported and stored at a nuclear waste repository. Once the canisters are in place underground, the space between the canister and the wall rock will be filled with bentonite clay. Recent research has prioritized high temperature interactions of EBS materials, including phase transitions in bentonite clay, in order to reduce worker dose and repository cost. Higher temperature (i.e., 200ºC) thermal limits are a new area of investigation by the U.S. and international repository science programs. The hydrothermal experimental laboratory at Los Alamos, consisting of rocking autoclaves and cold seal assemblies, is critical to the campaign and presents a significant temperature / pressure safety hazard. Therefore, working competently and safely with these systems is very important to the knowledge management procedures developed at this laboratory. Therefore, the operation of these two systems (rocking autoclaves and cold seal assemblies) will be discussed first.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Evidence from the ancient world on long-term preservation of artifacts - 15442

As a cradle and crossroads of civilizations, a bridge between the ancient political and cultural centers of Mesopotamia and Egypt, and home to three major religions, the land of Israel is rich with archaeological artifacts. Dating back thousands of years, many such artifacts have been preserved in remarkable condition - enduring the tumultuous test of time, environment, and regional turmoil. The study of these artifacts can undoubtedly serve as an analogue for a modern, permanent marker system for a geologic nuclear waste repository, shedding light on how a marker can endure man-made and natural disasters over thousands of years. Indeed, these artifacts, and our ability to decipher their various messages, not only provide us with a rich knowledge of our ancestors from the past, but they likewise provide insight into the techniques and conditions needed for long-term preservation and endurance of man-made items over time. (authors)

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

Ethical Considerations in Determining the Societal Investment in Warning Future Generations about Latent Long-term Risks from Radioactive Waste Disposal Facilities - 17058

Writers and philosophers have long romanticized and pondered the great challenge of communicating with future generations. The only way that man can travel through time. Never has this notion been more studied and debated than in the nuclear waste disposal arena. Regulatory requirements in the United States and internationally, require that there be some form of notification of future generations in place once a deep geologic nuclear waste repository has been closed. It is considered a generational responsibility. Since the difficulty of this task is so daunting, it has been assumed that the monetary cost to accomplish this millennia-spanning message-in-a-bottle must also be extreme. This paper will discuss both the ethical and equitable implications across generations, as they pertain to the reality of future inadvertent intrusion scenarios and the associated cost of communicating through time to prevent them. (authors)

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

Simulating Regional Groundwater Flow in the Vicinity of the Nevada National Security Site, Nye County, Nevada - 16104

The Death Valley Regional Groundwater Flow System (DVRFS) occupies an area of about 70,000 km{sup 2} in south-central Nevada and southeastern California. Interest in this system stems from the need to (1) understand the groundwater flow paths and travel times associated with potential migration of radioactive material from the Nevada National Security Site (NNSS) where underground nuclear testing was conducted from 1956 to 1992; (2) characterize the groundwater system in the vicinity of the proposed high-level radioactive waste repository at Yucca Mountain, Nev.; and (3) address a variety of potential effects from NNSS activities on users down gradient from the NNSS and Yucca Mountain. A single groundwater flow model of the DVRFS has been developed that integrates data and results of two previous regional-scale models and supports Department of Energy (DOE) programs at the NNSS. The numerical model was constrained by organizing hydrogeologic data and interpretations in three-dimensional (3D) geographic information systems and constructing a digital three-dimensional (3D) hydrogeologic framework model (HFM) to represent 27 hydrogeologic units (HGUs) and major structures in the DVRFS region. The 3D hydrogeologic data sets were discretized to 1,500 meters (m) grid cell resolution for input arrays required for the model. The DVRFS was simulated using the USGS 3D groundwater-flow modeling code MODFLOW-2000. Two examples showing how the DVRFS regional model is used by the DOE as part of waste management activities at the NNSS: (1) use of the regional model to provide the boundary conditions for site-scale models, and (2) use of the regional model to assess changes in hydraulic gradient and flow paths in the regional flow system resulting from changes in pumping in various areas of interest. (authors)

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

Evaluation of the predictive capability of coupled thermo-hydro-mechanical models for a heated bentonite/clay system (HE-E) in the Mont Terri Rock Laboratory

Process understanding and parameter identification using numerical methods based on experimental findings are a key aspect of the international cooperative project DECOVALEX. Comparing the predictions from numerical models against experimental results increases confidence in the site selection and site evaluation process for a radioactive waste repository in deep geological formations. In the present phase of the project, DECOVALEX-2015, eight research teams have developed and applied models for simulating an in-situ heater experiment HE-E in the Opalinus Clay in the Mont Terri Rock Laboratory in Switzerland. The modelling task was divided into two study stages, related to prediction and interpretation of the experiment. A blind prediction of the HE-E experiment was performed based on calibrated parameter values for both the Opalinus Clay, that were based on the modelling of another in-situ experiment (HE-D), and modelling of laboratory column experiments on MX80 granular bentonite and a sand/bentonite mixture .. After publication of the experimental data, additional coupling functions were analysed and considered in the different models. Moreover, parameter values were varied to interpret the measured temperature, relative humidity and pore pressure evolution. The analysis of the predictive and interpretative results reveals the current state of understanding and predictability of coupled THM behaviours associated with geologic nuclear waste disposal in clay formations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Water-Weakening and Time-Dependent Deformation of Organic-Rich Chalks

Abstract The Ghareb Formation is a shallowly buried porous chalk in southern Israel that is being considered as a host rock for a geologic nuclear waste repository. Setup and operation of a repository will induce significant mechanical, hydrological and chemical perturbations in the Ghareb. Developing a secure repository requires careful characterization of the rock behavior to different loads. To characterize hydromechanical behavior of the Ghareb, several short- and long-term deformation experiments were conducted. Hydrostatic loading tests were conducted both dry and water-saturated, using different setups to measure elastic properties, time-dependent behavior, and permeability. A set of triaxial tests were conducted to measure the elastic properties and rock strength under differential loading at dry and water-saturated conditions. The hydrostatic tests showed the Ghareb began to deform inelastically around 12–15 MPa, a relatively low effective pressure. Long-term permeability measurements demonstrated that permeability declined with increasing effective pressure and was permanently reduced by ~ 1 order of magnitude after unloading pressure. Triaxial tests showed that water saturation significantly degrades the rock properties of the Ghareb, indicating water-weakening is a significant risk during repository operation. Time-dependent deformation is observed during hold periods of both the hydrostatic and triaxial tests, with deformation being primarily visco-plastic. The rate of deformation and permeability loss is strongly controlled by the effective pressure as well. Additionally, during holds of both hydrostatic and triaxial tests, it is observed that when water-saturated, radial strain surpassed axial strain when above effective pressures of 13–20 MPa. Thus, deformation anisotropy may occur in situ during operations even if the stress conditions are hydrostatic when above this pressure range.

58 GEOSCIENCES↗
DOE OSTI2020

Technology Development for Dry Storage of Aluminum-Clad Spent Nuclear Fuel - 20490

A candidate disposition pathway for the > 13 MTHM of aluminum-clad spent nuclear fuel (ASNF), owned and managed by the U.S. Department of Energy, is the drying and placement of the SNF into sealed-canister dry storage, with the ASNF-in- canisters 'road-ready' for transportation to and final direct disposal in a repository waste package. Technical information gaps in fuel drying, and fuel dry storage behavior, have previously challenged the declaration of technology readiness for drying and placement of this fuel into the DOE Standard Canister design for > 50 years of safe dry storage. The principal technical information gaps included: i) characterization and thermal dehydration behavior of aluminum (oxy)hydroxide films attendant on the cladding due to film formation during reactor operation and during post-discharge up to long-term wet storage histories; and ii) G-value data to enable estimation of the radiolytic gas generation from the cladding with its (oxy)hydroxide films. Thus, the oxide films on the ASNF challenged the safety of a sealed storage canister with thermal and radiolytic decomposition of the waters on the films that can lead to corrosion, pressurization, and flammability issues. These gaps in the technical information base have largely been closed. This paper discusses the investigations at the Idaho National Laboratory (INL) and the Savannah River National laboratory (SRNL), and outlines the pending technology development work for input to an engineering design to enable a road-ready dry storage system for ASNF. The ASNF inventory considered for road-ready dry storage is stored at the Savannah River Site (SRS) and at the Idaho Nuclear Technology and Engineering Center (INTEC) at the INL. The ASNF inventory in the SRS L Basin is from foreign and domestic research reactors (FRR and DRR), and is diverse in terms of design, irradiation, and post-reactor-discharge storage conditions; these factors yield a range of characteristics of cladding oxide films on ASNF. Mixed aluminum (oxy)hydroxide (boehmite and bayerite/gibbsite) films, non-uniform in thicknesses up to a maximum local thickness bounded by 25 μm, were observed on ASNF materials removed from wet storage in the L Basin and in non-sealed dry storage at the SRS following reactor service and a long-term (up to 40+ years) interim storage history. The ASNF inventory at INTEC, in both wet and vented dry storage, is predominantly from the Advanced Test Reactor (ATR), but it also includes DRR and FRR fuel. To address a profound behavior of these films, radiolysis testing of aluminum specimens with mixed type boehmite/bayerite oxide films was performed to develop basic data on G-values for production of radiolytic hydrogen under dry storage conditions with nominal relative humidity, temperature, and cover gas. Modeling and simulation of canister internal environments with postulated inventories of oxide films provides estimation of the evolution of the conditions of the canister loaded with ASNF. Simultaneous Thermal Analysis (TGA/DSC) of hydrated oxide powders, and laboratory-scale aluminum specimens with a bayerite film (∼10 μm) using TGA methods, inform drying time/temperature conditions to be used for the ASNF. A demonstration project is recommended for Verification and Validation of the drying and storage of the ASNF. Remaining major tasks leading up to the hot demonstration include scale-up radiolysis testing and scale-up drying testing. Engineering design with the information from the technology program will establish the safety basis and enable long-term (> 50 years) dry storage compatibility with ASNF in the DOE Standard Canister pending its transportation to and disposal in a repository. This full capability would show the ASNF-in-canister storage system to be road-ready. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Brine Availability Test in Salt (BATS) FY24 Update

This report summarizes fiscal year 2024 (FY24) activities centered around a series of field tests in bedded salt at the Waste Isolation Pilot Plant (WIPP) funded by the Office of Spent Fuel and Waste Science and Technology in the Spent Fuel and Waste Disposition (SFWD) program of the US Department of Energy’s Office of Nuclear Energy (DOE-NE). High-level Purpose of Experiments: The Brine Availability Test in Salt (BATS) field tests are revealing both brine occurrence (i.e., where, and how much) and brine migration (i.e., how easily it moves) in the excavation damaged zone (EDZ). This understanding is foundational to develop a safety case for a future heat-generating waste repository in salt, and to starting up a generic repository program in salt to buy down risk. BATS seeks to predict how much brine can flow into both ambient and heated excavations (e.g., boreholes or rooms) in salt. This work is educating and empowering new repository scientists on two fronts: “design and execution of field tests” and “prediction and modeling of coupled processes.” DOE-NE capabilities in salt have grown and been tested through international modeling and benchmarking exercises (e.g., DECOVALEX, RANGERS, KOMPASS, and MEASURES; see Mills et al., 2024). The hands-on expertise we are building is a necessary step towards large-scale disposal demonstrations and eventual implementation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Irradiation Effect on Noble Metal Particles in Water Using in situ Liquid Cell STEM Observation

During geologic disposal of spent nuclear fuel (SNF) in an engineered nuclear waste repository, once all other barriers have degraded, oxidizing may occur at the solid-water interface owing to a self-generated radiolytic field. The repository design includes large quantities of iron (Fe), that is anticipated to corrode under an anoxic environment, and generate hydrogen (H 2 ) gas. This H 2 gas is thought to be able to suppress the dissolution of SNF through a catalytic reaction with noble metal particles (NMP) that are pre-existing in the SNF. This interaction leads to the decomposition of the major oxidant, hydrogen peroxide (H 2 O 2 ). In conclusion, these processes are described in the Fuel Matrix Degradation (FMD) model that is being used to predict SNF degradation rates. The NMP, therefore, plays an important role within the FMD model.

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

Nuclide Release Pathways in and Around a Trench Repository for Radioactive Waste - 16014

An effective model for a safety assessment of a conceptual trench repository system, in which low-and intermediate level radioactive waste (LILW) is disposed of has been developed. The repository system is assumed to be located in the surface area of a mountain hill near the seashore. An easy-to-use computer program based on this model, developed as a GoldSim template, has been extended based on the previous one in consideration of the rather possible complex pathways in and around the trench for its performance assessment, which is able to evaluate a nuclide release from the repository and farther transport into the geosphere and biosphere under various normal, disruptive natural, and manmade events, and scenarios that can occur after a failure of waste drums with associated uncertainty. To demonstrate the nuclide release and transport behavior through these various possible pathways in the near- and far-fields of the repository system under certain scenarios, some illustrative evaluations and a simple sensitivity investigation with C-14 for the concrete barriers of the trench were made. (authors)

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

Update on NEA-TDB Database Development and Database Formatting Tool

This progress report (Level 4 Milestone Number M4SF-21LL010302062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline International Collaborations Activity Number SF-21LL01030206. The activity is focused on our long-term commitment of engaging our partners in international nuclear waste repository research. This includes participation in the Nuclear Energy Agency Thermochemical Database (NEA TDB) Project (Cindy Atkins-Duffin) and development of methodologies for integrating US and international thermodynamic databases for use in SFWST Generic Disposal System Assessment (GDSA) efforts. LLNL is supporting the overall objectives of the Disposal Research (DR) Crystalline International Collaborations Research and Development (R&D) control account. The objective of this control account is to advance our understanding of long-term disposal of spent fuel in crystalline rocks (including both granitic and metamorphic rocks) and to develop necessary experimental and computational capabilities to evaluate various disposal concepts in such media.

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

The Importance of Getting it Right - Lessons from the Failure and Subsequent Approval of the LLWR Environmental Safety Case - 16691

The Low Level Waste Repository (LLWR) in the UK submitted an Environmental Safety Case in 2002 which was rejected by the Environment Agency 3 years later. Almost a decade after the rejection, the LLWR submitted a completely different document which was approved in November 2015. This paper looks at the lessons learned from the failed submission and documents the strategy employed by the Site's new contractor to overcome both the challenging technical issues that led to the initial rejection and overcome the resistance to long term disposal by the local community. It will describe the journey it has taken to move from a flawed safety case, to a technically sound safety case, to one that is approved by the regulator, and accepted by the community. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Iodine speciation in cementitious environments

Iodine-129 is a key risk driver in most low-level waste cementitious waste repositories. Objectives of this study were to determine iodine speciation in cementitious materials with slag (Grout +slag ) and without slag (Grout –slag ) and its impact on iodine immobilization. Irrespective of which iodine species was amended to the aqueous phase, there were no significant differences in uptake-K d values (~3 L/kg). However, when the various iodine species were hydrated with the grout, the release-K d values (6.1–121.8 L/kg) were significantly greater than the uptake-K d values, and the amended iodine speciation (I – << org-I ≤ IO 3 – ) and grout formulation (Grout –slag < Grout +slag ) had a significant impact on release-Kd values. In grout samples amended with I – and IO 3 – , org-I was formed and comprised a majority of the iodine in the leachate after 28 days of equilibration. The formed org-I originated from organic carbon (C) in the grout material (~1200 mg/kg C). For the first time, these studies demonstrate that multiple iodine species can co-exist simultaneously in grout porewater, the iodine species initially added to the grout can greatly affect iodine immobilization, and the addition of slag to the grout formulation increased iodine immobilization. Furthermore, these results may have important implications on radioiodine waste disposal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Management and International Sorption Model Collaboration (M4SF-23LL010302062-NEA-TDB)

This progress report (Level 4 Milestone Number M4SF-23LL010302062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline International Collaborations Activity Number SF-23LL01030206. The activity is focused on our long-term commitment of engaging our partners in international nuclear waste repository research. This includes participation in the Nuclear Energy Agency Thermochemical Database (NEA-TDB) Project and development of methodologies for integrating US and international thermodynamic databases for use in SFWST Generic Disposal System Assessment (GDSA) efforts. A continuing focus for FY23 efforts has been to support the US participation in the NEA-TDB effort (Mavrik Zavarin replaced Cindy Atkins-Duffin on the NEA-TDB Management Board (MB) and Executive Group (EG)) and developing mechanisms for integration of NEA-TDB thermochemical data with LLNL’s SUPCRTNE thermodynamic database that supports the SFWST GDSA activities. This effort is coordinated with the Argillite work package SUPCRTNE database development efforts. The goal is to provide a downloadable database that will be hosted on a LLNL website which integrates NEA-TDB data into the LLNL SUPCRTNE database where appropriate. As part of our international activities, we continue our effort to integrate international sorption databases into L-SCIE (Zavarin et al., 2022b). We presented opportunities to include sorption in the next phase of NEA-TDB efforts at the April 2023 EG meeting in Paris. FY23 efforts focused on ensuring interoperable database development across multiple international database development activities. The overall goal is to produce an open source database that can be shared and integrated with multiple nuclear waste programs internationally and harness modern data science workflows and algorithms to incorporate these new approaches into reactive transport and performance assessment models. In collaboration with our Helmholtz Zentrum Dresden Rossendorf partners, we recently demonstrated the power of FAIR open source databases by fitting iron oxide (hydrous ferric oxide, goethite, hematite, and magnetite) protolysis constants to all available L-SCIE data. The results were submitted as a manuscript to J. Colloid Interface Science. This work will inform future metal sorption studies on a variety of iron oxides in order to discern the most appropriate acidity constants and surface complexation modeling constructs to account for pH-dependent mineral surface charge behavior. This work also explored automated surface complexation model development workflows in order to generate higher throughput model input files for a more facile incorporation into GDSA activities.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗