Eric R. Lindgren

Electrokinetic ion transport through unsaturated soil: 1. Theory, model development, and testing.

An electromigration transport model for non-reactive ion transport in unsaturated soil was developed and tested against laboratory experiments. This model assumed the electric potential field was constant with respect to time, an assumption valid for highly buffered soil, or when the electrode electrolysis reactions are neutralized. The model also assumed constant moisture contents and temperature with respect to time, and that electroosmotic and hydraulic transport of water through the soil was negligible. A functional relationship between ionic mobility and the electrolyte concentration was estimated using the chemical activity coefficient. Tortuosity was calculated from a mathematical relationship fitted to the electrical conductivity of the bulk pore water and soil moisture data. The functional relationship between ionic mobility, pore-water concentration, and tortuosity as a function of moisture content allowed the model to predict ion transport in heterogeneous unsaturated soils. The model was tested against laboratory measurements assessing anionic electromigration as a function of moisture content. In the test cell, a strip of soil was spiked with red dye No 40 and monitored for a 24-h period while a 10-mA current was maintained between the electrodes. Electromigration velocities predicted by the electromigration transport model were in agreement with laboratory experimental results. Both laboratory-measured and model-predicted dye migration results indicated a maximum transport velocity at moisture contents less than saturation due to competing effects between current density and tortuosity as moisture content decreases.

Electrokinetic ion transport through unsaturated soil: 2. Application to a heterogeneous field site.

Results of a field demonstration of electrokinetic transport of acetate through an unsaturated heterogeneous soil are compared to numerical modeling predictions. The numerical model was based on the groundwater flow and transport codes MODFLOW and MT3D modified to account for electrically induced ion transport. The 6-month field demonstration was conducted in an unsaturated layered soil profile where the soil moisture content ranged from 4% to 28% (m3 m(-3)). Specially designed ceramic-cased electrodes maintained a steady-state moisture content and electric potential field between the electrodes during the field demonstration. Acetate, a byproduct of acetic acid neutralization of the cathode electrolysis reaction, was transported from the cathode to the anode by electromigration. Field demonstration results indicated preferential transport of acetate through soil layers exhibiting higher moisture content/electrical conductivity. These field transport results agree with theoretical predictions that electromigration velocity is proportional to a power function of the effective moisture content. A numerical model using a homogeneous moisture content/electrical conductivity domain did not adequately predict the acetate field results. Numerical model predictions using a three-layer electrical conductivity/moisture content profile agreed qualitatively with the observed acetate distribution. These results suggest that field heterogeneities must be incorporated into electrokinetic models to predict ion transport at the field-scale.

Historical Case Analysis of Uranium Plume Attenuation

Groundwater plumes containing dissolved uranium at levels above natural background exist adjacent to uranium ore bodies, at uranium mines, milling locations, and at a number of explosive test facilities. Public health concerns require that some assessment of the potential for further plume movement in the future be made. Reaction-transport models, which might conceivably be used to predict plume movement, require extensive data inputs that are often uncertain. Many of the site-specific inputs are physical parameters that can vary spatially and with time. Limitations in data availability and accuracy means that reaction-transport predictions can rarely provide more than order-of-magnitude bounding estimates of contaminant movement in the subsurface. A more direct means for establishing the limits of contaminant transport is to examine actual plumes to determine if, collectively, they spread and attenuate in a reasonably consistent and characteristic fashion. Here a number of U plumes from ore bodies and contaminated sites were critically examined to identify characteristics of U plume movement. The magnitude of the original contaminant source, the geologic setting, and the hydrologic regime were rarely similar from site to site. Plumes also spanned a vast range of ages, and no complete set of time-series plume analyses based on the spatial extent of U contamination exist for a particular site. Despite the accumulated uncertainties and variabilities, the plume data set gave a clear and reasonably consistent picture of U plume behavior. Specifically, uranium plumes: • Appear to reach steady-state, that is, they quit spreading, rapidly (within a few years). • Exceed roughly 2 km in length only in special cases (e.g., where in situ leaching has been carried out). The majority are much smaller. • Exhibit very similar U chemistry between sites. This implies analogous contaminant attenuation mechanisms despite their location.

Material Protection, Accounting, and Control Technologies (MPACT): Modeling and Simulation Roadmap

The development of sustainable advanced nuclear fuel cycles is a long-term goal of the Office of Nuclear Energy’s (DOE-NE) Fuel Cycle Technologies program. The Material Protection, Accounting, and Control Technologies (MPACT) campaign is supporting research and development (R&D) of advanced instrumentation, analysis tools, and integration methodologies to meet this goal. This advanced R&D is intended to facilitate safeguards and security by design of fuel cycle facilities. The lab-scale demonstration of a virtual facility, distributed test bed, that connects the individual tools being developed at National Laboratories and university research establishments, is a key program milestone for 2020. These tools will consist of instrumentation and devices as well as computer software for modeling. To aid in framing its long-term goal, during FY16, a modeling and simulation roadmap is being developed for three major areas of investigation: (1) radiation transport and sensors, (2) process and chemical models, and (3) shock physics and assessments. For each area, current modeling approaches are described, and gaps and needs are identified.

Numerical Estimation of the Spent Fuel Ratio

Sabotage of spent nuclear fuel casks remains a concern nearly forty years after attacks against shipment casks were first analyzed and has a renewed relevance in the post-9/11 environment. A limited number of full-scale tests and supporting efforts using surrogate materials, typically depleted uranium dioxide (DUO2), have been conducted in the interim to more definitively determine the source term from these postulated events. However, the validity of these largescale results remain in question due to the lack of a defensible spent fuel ratio (SFR), defined as the amount of respirable aerosol generated by an attack on a mass of spent fuel compared to that of an otherwise identical surrogate. Previous attempts to define the SFR in the 1980’s have resulted in estimates ranging from 0.42 to 12 and include suboptimal experimental techniques and data comparisons. Because of the large uncertainty surrounding the SFR, estimates of releases from security-related events may be unnecessarily conservative. Credible arguments exist that the SFR does not exceed a value of unity. A defensible determination of the SFR in this lower range would greatly reduce the calculated risk associated with the transport and storage of spent nuclear fuel in dry cask systems. In the present work, the shock physics codes CTH and ALE3D were used to simulate spent nuclear fuel (SNF) and DUO2 targets impacted by a high-velocity jet at an ambient temperature condition. These preliminary results are used to illustrate an approach to estimate the respirable release fraction for each type of material and ultimately, an estimate of the SFR.

Status update of the BWR cask simulator

The performance of commercial nuclear spent fuel dry storage casks are typically evaluated through detailed numerical analysis of the system’s thermal performance. These modeling efforts are performed by the vendor to demonstrate the performance and regulatory compliance and are independently verified by the Nuclear Regulatory Commission (NRC). Carefully measured data sets generated from testing of full sized casks or smaller cask analogs are widely recognized as vital for validating these models. Numerous studies have been previously conducted. Recent advances in dry storage cask designs have moved the storage location from aboveground to belowground and significantly increased the maximum thermal load allowed in a cask in part by increasing the canister helium pressure. Previous cask performance validation testing did not capture these parameters. The purpose of the investigation described in this report is to produce a data set that can be used to test the validity of the assumptions associated with the calculations presently used to determine steady-state cladding temperatures in modern dry casks. These modern cask designs utilize elevated helium pressure in the sealed canister or are intended for subsurface storage. The BWR cask simulator (BCS) has been designed in detail for both the aboveground and belowground venting configurations. The pressure vessel representing the canister has been designed, fabricated, and pressure tested for a maximum allowable pressure (MAWP) rating of 24 bar at 400 C. An existing electrically heated but otherwise prototypic BWR Incoloyclad test assembly is being deployed inside of a representative storage basket and cylindrical pressure vessel that represents the canister. The symmetric single assembly geometry with well-controlled boundary conditions simplifies interpretation of results. Various configurations of outer concentric ducting will be used to mimic conditions for above and belowground storage configurations of vertical, dry cask systems with canisters. Radial and

Spent fuel sabotage test program, characterization of aerosol dispersal : technical review and analysis supplement.

This project seeks to provide vital data required to assess the consequences of a terrorist attack on a spent fuel transportation cask. One such attack scenario involves the use of conical shaped charges (CSC), which are capable of damaging a spent fuel transportation cask. In the event of such an attack, the amount of radioactivity that may be released as respirable aerosols is not known with great certainty. Research to date has focused on measuring the aerosol release from single short surrogate fuel rodlets subjected to attack by a small CSC device in various aerosol chamber designs. The last series of three experiments tested surrogate fuel rodlets made with depleted uranium oxide ceramic pellets in a specially designed double chamber aerosol containment apparatus. This robust testing apparatus was designed to prevent any radioactive release and allow high level radioactive waste disposal of the entire apparatus following testing of actual spent fuel rodlets as proposed. DOE and Sandia reviews of the project to date identified a number of issues. The purpose of this supplemental report is to address and document the DOE review comments and to resolve the issues identified in the Sandia technical review.

Migration and settling of particulates in filled epoxies.

Manufacturing applications for filled polymers include encapsulation of microelectronics and injection molding of composite parts. Predictive tools for simulating these manufacturing processes require knowledge of time- and temperature-dependent rheology of the polymer as well as information about local particle concentration. The overall system rheology is highly dependent on the particle concentration. The local particle concentration can change due to gravity, convection and shear-induced migration. For the epoxy systems of interest, an extent of reaction can be used to track the degree of cure. We couple the curing model with a diffusive flux suspension model [Zhang and Acrivos 1994] to determine the particle migration. This results in a generalized Newtonian model that has viscosity as a function of temperature, cure and concentration. Using this model, we examine settling of the particulate phase in both flowing and quiescent curing systems. We focus on settling in molds and flow in wide-gap counter-rotating cylinders. The heat transfer, including the exothermic polymerization reaction, must be modeled to achieve accurate results. The model is validated with temperature measurements and post-test microscopy data. Particle concentration is determined with x-ray microfocus visualization or confocal microscopy. Agreement between the simulations and experimental results is fair.Copyright