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DOE OSTI2011

An Overview of the Cooperative Effort between the United States Department of Energy and the China Atomic Energy Authority to Enhance MPC&A Inspections for Civil Nuclear Facilities in China

The United States Department of Energy, National Nuclear Security Administration (DOE/NNSA) and the China Atomic Energy Authority (CAEA) are cooperating to enhance the domestic regulatory inspections capacity for special nuclear material protection, control and accounting (MPC&A) requirements for civil nuclear facilities in China. This cooperation is conducted under the auspices of the Agreement between the Department of Energy of the United States of America and the State Development and Planning Commission of the People s Republic of China on Cooperation Concerning Peaceful Uses of Nuclear Technology. This initial successful effort was conducted in three phases. Phase I focused on introducing CAEA personnel to DOE and U. S. Nuclear Regulatory Commission inspection methods for U. S. facilities. This phase was completed in January 2008 during meetings in Beijing. Phase II focused on developing physical protection and material control and accounting inspection exercises that enforced U. S. inspection methods identified during Phase 1. Hands on inspection activities were conducted in the United States over a two week period in July 2009. Simulated deficiencies were integrated into the inspection exercises. The U. S. and Chinese participants actively identified and discussed deficiencies noted during the two week training course. The material control and accounting inspection exercises were conducted at the Paducah Gaseous Diffusion Plant (PGDP) in Paducah, KY. The physical protection inspection exercises were conducted at the Oak Ridge National Laboratory (ORNL) in Oak Ridge, TN. Phase III leveraged information provided under Phase I and experience gained under Phase II to develop a formal inspection guide that incorporates a systematic approach to training for Chinese MPC&A field inspectors. Additional hands on exercises that are applicable to Chinese regulations were incorporated into the Phase III training material. Phase III was completed in May 2010 at the China Institute of Atomic Energy (CIAE) in Beijing. This paper provides details of the successful cooperation between DOE/NNSA and CAEA for all phases of the cooperative effort to enhance civil domestic MPC&A inspections in China.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2012

Advanced regulatory control and coordinated plant-wide control strategies for IGCC targeted towards improving power ramp-rates

As part of ongoing R&D activities at the National Energy Technology Laboratory's (NETL) Advanced Virtual Energy Simulation Training & Research (AVESTAR™) Center, this paper highlights strategies for enhancing low-level regulatory control and system-wide coordinated control strategies implemented in a high-fidelity dynamic simulator for an Integrated Gasification Combined Cycle (IGCC) power plant with carbon capture. The underlying IGCC plant dynamic model contains 20 major process areas, each of which is tightly integrated with the rest of the power plant, making individual functionally-independent processes prone to routine disturbances. Single-loop feedback control although adequate to meet the primary control objective for most processes, does not take into account in advance the effect of these disturbances, making the entire power plant undergo large offshoots and/or oscillations before the feedback action has an opportunity to impact control performance. In this paper, controller enhancements ranging from retuning feedback control loops, multiplicative feed-forward control and other control techniques such as split-range control, feedback trim and dynamic compensation, applicable on various subsections of the integrated IGCC plant, have been highlighted and improvements in control responses have been given. Compared to using classical feedback-based control structure, the enhanced IGCC regulatory control architecture reduces plant settling time and peak offshoots, achieves faster disturbance rejection, and promotes higher power ramp-rates. In addition, improvements in IGCC coordinated plant-wide control strategies for “Gasifier-Lead”, “GT-Lead” and “Plantwide” operation modes have been proposed and their responses compared. The paper is concluded with a brief discussion on the potential IGCC controller improvements resulting from using advanced process control, including model predictive control (MPC), as a supervisory control layer.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2012

Enhanced IGCC regulatory control and coordinated plant-wide control strategies for improving power ramp rates

As part of ongoing R&D activities at the National Energy Technology Laboratory’s (NETL) Advanced Virtual Energy Simulation Training & Research (AVESTAR™) Center, this paper highlights strategies for enhancing low-level regulatory control and system-wide coordinated control strategies implemented in a high-fidelity dynamic simulator for an Integrated Gasification Combined Cycle (IGCC) power plant with carbon capture. The underlying IGCC plant dynamic model contains 20 major process areas, each of which is tightly integrated with the rest of the power plant, making individual functionally-independent processes prone to routine disturbances. Single-loop feedback control although adequate to meet the primary control objective for most processes, does not take into account in advance the effect of these disturbances, making the entire power plant undergo large offshoots and/or oscillations before the feedback action has an opportunity to impact control performance. In this paper, controller enhancements ranging from retuning feedback control loops, multiplicative feed-forward control and other control techniques such as split-range control, feedback trim and dynamic compensation, applicable on various subsections of the integrated IGCC plant, have been highlighted and improvements in control responses have been given. Compared to using classical feedback-based control structure, the enhanced IGCC regulatory control architecture reduces plant settling time and peak offshoots, achieves faster disturbance rejection, and promotes higher power ramp-rates. In addition, improvements in IGCC coordinated plant-wide control strategies for “Gasifier-Lead”, “GT-Lead” and “Plantwide” operation modes have been proposed and their responses compared. The paper is concluded with a brief discussion on the potential IGCC controller improvements resulting from using advanced process control, including model predictive control (MPC), as a supervisory control layer.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2011

BRISC v.1.0

BRISC is a developmental prototype for a nextgeneration systems-level integrated performance and safety code (IPSC) for nuclear reactors. Its development served to demonstrate how a lightweight multi-physics coupling approach can be used to tightly couple the physics models in several different physics codes (written in a variety of languages) into one integrated package for simulating accident scenarios in a liquid sodium cooled burner nuclear reactor. For example, the RIO Fluid Flow and Heat transfer code developed at Sandia (SNL: Chris Moen, Dept. 08005) is used in BRISC to model fluid flow and heat transfer, as well as conduction heat transfer in solids. Because BRISC is a prototype, its most practical application is as a foundation or starting point for developing a true production code. The sub-codes and the associated models and correlations currently employed within BRISC were chosen to cover the required application space and demonstrate feasibility, but were not optimized or validated against experimental data within the context of their use in BRISC.

Source record↗

DOE OSTI2016

Modelling of the Gadolinium Fuel Test IFA-681 using the BISON Code

In this work, application of Idaho National Laboratory’s fuel performance code BISON to modelling of fuel rods from the Halden IFA-681 gadolinium fuel test is presented. First, an overview is given of BISON models, focusing on UO2/UO2-Gd2O3 fuel and Zircaloy cladding. Then, BISON analyses of selected fuel rods from the IFA-681 test are performed. For the first time in a BISON application to integral fuel rod simulations, the analysis is informed by detailed neutronics calculations in order to accurately capture the radial power profile throughout the fuel, which is strongly affected by the complex evolution of absorber Gd isotopes. In particular, radial power profiles calculated at IFE–Halden Reactor Project with the HELIOS code are used. The work has been carried out in the frame of the collaboration between Idaho National Laboratory and Halden Reactor Project. Some slide have been added as an Appendix to present the newly developed PolyPole-1 algorithm for modeling of intra-granular fission gas release.

BISON code↗

DOE OSTI2021

METHODOLOGY AND APPLICATION OF PHYSICAL SECURITY EFFECTIVENESS BASED ON DYNAMIC FORCE-ON-FORCE MODELING

This paper describes ongoing work within the Light Water Reactor Sustainability (LWRS) Program at Idaho National Laboratory (INL) to optimize security and cost of nuclear power plants (NPPs). It reviews the conservatisms in conventional physical security posture and regulations. It introduces the dynamic risk assessment tool developed at INL, Event Modeling Risk Assessment using Linked Diagrams (EMRALD). The dynamic assessment methodology leverages EMRALD to process results of force-on-force (FOF) simulations and crediting safety mitigation actions from probabilistic risk assessment (PRA) models as well as diverse and flexible coping strategies (FLEX) mitigation strategies. Timing information from these simulations are compared against the available time to perform mitigations obtained from Reactor Excursion and Leak Analysis Program (RELAP5) simulations. To illustrate the methodology, a station blackout (SBO) attack scenario was modeled in commercially available FOF simulation tools. The simulation results provide valuable insights into possible attack outcomes and as the probabilistic risk of a core damage event given these outcomes. Safety mitigation procedures were modeled in EMRALD, and were dependent on the attack outcomes by considering human operator uncertainties. RELAP5 simulations incorporating human and hardware uncertainties were performed to estimate the distribution of time-to-core damage. The results demonstrate that, even in the extreme case of a successful adversarial attack, plant mitigation strategies provide significantly high-likelihood of preventing radiological release. The proposed modeling and simulation framework of integrating FLEX equipment with FOF models enables the NPPs to credit FLEX portable equipment in the plant security posture, resulting in an efficient and optimized physical security.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Recent and Planned Improvements to the System Advisor Model (SAM)

This talk will focus on recent and planned modeling improvements to the NREL System Advisor ModelTM (SAM), including PV hourly clipping correction, expanded geographic scope of PVWatts including Ukraine, additional options for hybrids, and enhanced PySAM and GUI interoperability. Additional topics will also include: bifacial modeling features including irradiance on the ground for agrivoltaics, PV uncertainty simulation features, and integrations with other NREL and industry tools.

battery↗

DOE OSTI2016

Behavior of high-burnup advanced LWR fuels under accident conditions

Advanced fuels for LWRs which consist of cladding materials with high corrosion resistance and pellets with lower fission gas release have been developed by utilities and fuel vendors to improve the fuel performance even in the high burnup region and also raise the safety level of current nuclear power plants to a higher one. In order to evaluate the adequacy of present safety criteria and safety margins in terms of such advanced fuels and provide a database for future regulation of them, JAEA has started a new extensive research program called ALPS-II program. The ALPS-II program is primarily composed of tests simulating a RIA (Reactivity Initiated Accident) (VA-5 and -6 tests) and a LOCA (Loss Of Coolant Accident) on high burnup advanced fuels irradiated in commercial PWR or BWRs and started in JFY 2008. Recently, post-test examinations on the fuel rods after the pulse irradiation tests of VA-5 and -6 were performed and the relationship between the failure limits of the high burnup advanced fuels with M-MDA{sup TM} cladding and the morphology of the hydrides precipitated in the cladding during normal operation was investigated. The difference in the crack surface morphology was observed between tests VA-5 and-6, which seemed to reflect the difference in the direction along which hydrides precipitate in the cladding. This indicates that the hydride precipitated in the cladding, which is considered to be dependent on the final heat treatment at fabrication, affects the fuel enthalpy at failure. In terms of the simulated LOCA test, integral thermal shock tests and high temperature oxidation tests have been conducted on high burnup PWR and BWR fuel cladding with advanced materials, and their fracture limits, high temperature oxidation rates, etc. were investigated. In the recent integral thermal shock tests for high burnup BWR cladding, namely Zry-2/LK3 material, no fractures were observed. In terms of the oxidation rate tests, the oxidation rate of irradiated M5{sup TM} was similar to those of unirradiated Zry-4 and M5{sup TM} and lower than the values estimated by the Baker-Just equation. From the results of these tests, it was found that in terms of these materials the fracture boundaries do not decrease and the oxidation does not significantly accelerate in the burnup level examined.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Particle Acceleration during Magnetic Reconnection in a Low-beta Plasma

Magnetic reconnection is a primary mechanism for particle energization in space and astrophysical plasmas. By carrying out two-dimensional (2D) fully kinetic simulations, we study particle acceleration during magnetic reconnection in plasmas with different plasma β (the ratio between the thermal pressure and the magnetic pressure). For the high-β cases, we do not observe significant particle acceleration. In the low-β regime (β<0.1), we find that reconnection is efficient at energizing both electrons and ions. While the distribution of accelerated particles integrated over the whole simulation box appears highly non-thermal, it is actually the superposition of a series of distributions in different sectors of a 2D magnetic island. Each of those distributions has only a small non-thermal component compared with its thermal core. By tracking a large number of particles, we show that particles get energized in X-line regions, contracting magnetic islands, and magnetic island coalescence regions. We obtain the particle energization rate j⋅E by averaging over particle drift motions and find that it agrees well with the particle kinetic energy change. We quantify the contribution of curvature drift, gradient drift, polarization drift, magnetization, non-gyrotropic effect, and parallel electric field in different acceleration regions. We find that the major energization is due to particle curvature drift along the motional electric field. The other particle motions contribute less but may become important in different acceleration regions. The highly efficient particle energization in low-β plasmas may help us understand the strong particle energization in solar flares and accretion disk coronae.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

RAY-RAMSES: a code for ray tracing on the fly in N-body simulations

We present a ray tracing code to compute integrated cosmological observables on the fly in AMR N-body simulations. Unlike conventional ray tracing techniques, our code takes full advantage of the time and spatial resolution attained by the N-body simulation by computing the integrals along the line of sight on a cell-by-cell basis through the AMR simulation grid. Moroever, since it runs on the fly in the N-body run, our code can produce maps of the desired observables without storing large (or any) amounts of data for post-processing. We implemented our routines in the RAMSES N-body code and tested the implementation using an example of weak lensing simulation. We analyse basic statistics of lensing convergence maps and find good agreement with semi-analytical methods. The ray tracing methodology presented here can be used in several cosmological analysis such as Sunyaev-Zel'dovich and integrated Sachs-Wolfe effect studies as well as modified gravity. Our code can also be used in cross-checks of the more conventional methods, which can be important in tests of theory systematics in preparation for upcoming large scale structure surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Jacobian-free Newton–Krylov method for the simulation of non-thermal plasma discharges with high-order time integration and physics-based preconditioning

A preconditioning framework for the numerical simulation of non-thermal streamer discharges is developed using the Jacobian-free Newton-Krylov (JFNK) method. A reduced plasma fluid model is considered, consisting of electrons, one positive ion, one negative ion, and the electrostatic potential. Here, the plasma kinetics model includes ionization, electron-ion recombination, electron attachment, electron detachment, and ion-ion recombination. The governing equations are made dimensionless, discretized in space with finite differences, and integrated in time with a fully implicit method based on high-order backward differentiation formulas. The preconditioning framework is based on a linearized form of the governing equations and physics-based operator splitting. The efficiency of the preconditioning strategy is assessed through two test cases: streamer propagation between parallel plates and an axisymmetric pin-to-pin discharge. The fully implicit approach overcomes traditional restrictions in the time step size due to processes such as electron drift, electron diffusion, and dielectric relaxation. Excellent performance is observed through relevant statistics of the JFNK solver, although the number of linear iterations increases for the pin-to-pin discharge when nonlinear numerical boundary conditions are imposed at the electrodes. Performance studies show scalability with O(100-1000) processors for O(10M) unknowns with ample room for optimization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Multiscale Simulations on Charge Transport in Covalent Organic Frameworks Including Dynamics of Transfer Integrals from the FMO-DFTB/LCMO Approach

Covalent organic frameworks (COFs) are potential candidates for applications in optoelectronic devices and solar cells due to their ability to transport charge through their aromatic molecular units. The highly ordered π-conjugated TP-COF, consisting of pyrene and triphenylene functional units alternately linked in a mesoporous hexagonal skeleton, is known as the first semiconducting COF. Here, we investigate the transport of holes as charge carriers in TP-COF through the π-stacked pyrene units with a multiscale technique, which combines classical molecular dynamics simulations, quantum chemical calculations, and carrier dynamics simulations. To efficiently estimate the charge transfer integrals from quantum chemical calculations, we developed the FMO-DFTB/LCMO approach by combining the fragment molecular orbital (FMO), density-functional tight-binding (DFTB), and linear-combination of fragment molecular orbitals (LCMO) methods. We observed that the thermal motions of TP-COF cause substantial fluctuations of the transfer integrals. To evaluate the charge carrier diffusion, we performed Ehrenfest dynamics and kinetic Monte Carlo simulations, including the fluctuations of the transfer integrals. Using both simulation approaches, we obtained high carrier mobilities of ca. 2 cm 2 V –1 s –1 . We found that the characteristics of charge transport in COFs are similar to that of oligoacene crystals, suggesting a common mechanism associated with “band-like” transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Testing and Analysis of Grid Forming Inverter Control for Achieving Resilient and Economic Operation of an Islanded Microgrid

This investigation examines the feasibility of operating a battery energy storage system (BESS) in parallel with synchronous generation by using grid forming (GFM) control in order to achieve frequency control objectives while mitigating increases to operating costs in the context of an islanded microgrid. The BESS GFM control system, which is based on conventional droop techniques, is modeled along with the overall microgrid using the Real Time Digital Simulator (RTDS) to allow for integration of genset controller hardware. A series of simulations are performed to test the voltage and frequency regulation capability of the BESS control system when the primary frequency regulating genset is tripped offline. The results of the simulations suggest that the GFM control scheme will successfully maintain frequency and voltage stability, which will enable operation without a back-up genset while not compromising the microgrid resiliency to contingencies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Data-driven predictions of complex organic mixture permeation in polymer membranes

Membrane-based organic solvent separations are rapidly emerging as a promising class of technologies for enhancing the energy efficiency of existing separation and purification systems. Polymeric membranes have shown promise in the fractionation or splitting of complex mixtures of organic molecules such as crude oil. Determining the separation performance of a polymer membrane when challenged with a complex mixture has thus far occurred in an ad hoc manner, and methods to predict the performance based on mixture composition and polymer chemistry are unavailable. Here, we combine physics-informed machine learning algorithms (ML) and mass transport simulations to create an integrated predictive model for the separation of complex mixtures containing up to 400 components via any arbitrary linear polymer membrane. We experimentally demonstrate the effectiveness of the model by predicting the separation of two crude oils within 6-7% of the measurements. Integration of ML predictors of diffusion and sorption properties of molecules with transport simulators enables for the rapid screening of polymer membranes prior to physical experimentation for the separation of complex liquid mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2011

Effect of pedestal height and internal transport barriers on International Thermonuclear Experimental Reactor target steady state simulations

The Tokamak simulation code (TSC) is used to provide initial conditions for predictive TRANSPort and integrated modeling code (PTRANSP) simulations of ITER target steady state scenarios. The PTRANSP simulations are carried out using the new multi-mode (MMM7.1) and the gyro-Landau-fluid (GLF23) transport models. It is found that there are circumstances under which the total fusion power decreases with increasing pedestal temperature height. When the total current (from magnetic axis to plasma edge) is fixed, an increased fraction of the current is concentrated in the pedestal region as the pedestal height is increased. As a consequence of the fixed total current, this results a smaller fraction of the current in the core plasma and, consequently, lower energy confinement. In previous simulations of ITER, in which the fusion power increased with increasing pedestal temperature height, the plasma current from the top of the pedestal to the magnetic axis was held fixed independent of the pedestal temperature. Simulations presented in this paper also indicate that improvement in fusion power production occurs when the lower hybrid current drive is replaced with electron cyclotron current drive. Again, the improvement results from the redistribution of plasma current since the lower hybrid power generally drives current closer to the plasma edge than does the electron cyclotron power. ITER simulation results obtained using the MMM7.1 transport model are compared with those using the GLF23 model. It is found that, in simulations of target steady state scenarios, momentum transport and flow-shear suppression features of the new MMM7.1 model can lead to predictions of internal transport barriers in temperature and rotation frequency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Preliminary Designs for Criticality Safety Benchmarks—Iron/Steel/Chromium Series

The nuclear criticality safety community uses critical benchmarks extensively when analyzing nuclear systems. Having benchmarks sensitive to important materials of interest helps to ensure safety and constrain results. Critical benchmarks are also invaluable to the nuclear data community, which uses these benchmarks as a check and measure of quality of nuclear data libraries. Additionally, integral benchmarks are often used to validate the performance of computational tools for simulating nuclear systems. Many integral benchmarks have been documented in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) handbook, the International Reactor Physics Experiment Evaluation Project (IRPhEP) handbook, and the Shielding Integral Benchmark Archive Database (SINBAD). The National Criticality Experiments Research Center (NCERC), operated by Los Alamos National Laboratory, is the only general purpose critical experiments facility in the United States of America. NCERC regularly designs and executes critical experiments and other measurements useful to a wide variety of fields including nuclear criticality safety, commercial nuclear energy, nonproliferation, and nuclear data. NCERC has recently developed tools to visualize gaps and deficiencies in existing criticality benchmarks – this work is still ongoing. Through this work and other reviews, some high priority deficiencies have been identified. This paper aims to highlight three areas where additional critical benchmarks would be useful to the nuclear criticality safety community and various other groups. Additionally, NCERC is seeking feedback in regard to these proposed measurements to make sure they are as useful to as many communities as possible.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Simulated Adhesive Response to Aging (CRADA 453 Final Report)

The goal of this project was to develop a suite of molecular models to investigate adhesive performance as a result of the presence of different levels of moisture. These different levels of moisture are accepted in the adhesives community to represent different states of aging. First, our team modeled the adhesive’s crosslinked structure. Next, we modeled adding water to the crosslinked structure and used high performance computing resources to simulate water diffusion through the bulk adhesive and possible sites for chain scission. Finally, we modeled the response of the simulated adhesive to tensile loads at various levels of moisture content. These simulations were validated by experimental characterization by the industry partner. We found that the Young’s modulus of the adhesive decreased by about 30% when the water content increased to 3 wt.%. Our simulations also identified the likely site where the polymer chain could break. Our integration of molecular level simulations and mechanical property predictions using high performance computing with experimental studies of a hydrated epoxy system has yielded fundamental insights that will help industry advance lightweight joining technologies.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Simulation of Particulate Transport for Delivery of Solid Amendments into the Subsurface: FY24 Status Report

For particulate-based amendments to be viable for field-scale remediation at the Hanford Site (e.g., 200 DV-1 Operable Unit), particles need to be delivered a sufficient radial distance from an injection well and retained at concentrations high enough for effective treatment. An accurate description of the particle radius of influence (ROI) is critical for developing an overall remediation strategy. However, field-scale particle simulations are currently limited due to insufficient simulation capabilities and a lack of experimental data to validate and parameterize particle transport models. To help build toward field-scale deployment, this fiscal year (FY) we have (1) developed a pre screening tool to estimate particle transport, (2) implemented particle transport models within PFLOTRAN, and (3) conducted preliminary estimations of particle ROI. While field-scale numerical simulations will ultimately be necessary before remedy design and field implementation, we have developed a pre-screening tool that offers valuable estimations of expected particle injectability and ROI in a 1-D system. The advantage of the tool is that it does not require extensive laboratory experiments and instead makes predictions based solely on routine laboratory measurements. This tool can assist in down-selection and decision-making by identifying which particle amendment systems are worth pursuing in future laboratory experiments, such as 1-D column tests and beyond. With any system, scaling up from the lab to the field presents challenges. Currently, there is no field data available for model calibration or validation. However, the theoretical particle models being developed herein are the best tools available to guide progress toward field deployment. To help bridge this gap and verify model predictions, larger-scale lab experiments are being proposed. To advance simulation capabilities, six particle transport models are being integrated into the reactive transport simulator PFLOTRAN. These include colloid filtration theory (CFT) and five additional particle transport models (M1-M5). Each model, from M1 to M5, progressively incorporates additional particle transport and retention processes. Ultimately, the simplest model capable of accurately describing 1-D column data will be selected and parameterized. During FY24, the CFT and M1 model have been fully implemented within PFLOTRAN. Using an existing 1 D column experiment, the two currently implemented particle transport models (CFT and M1), and associated parameters, were fit to this experiment. While simpler model formulations are helpful for estimations, these formulations could not fully describe particle transport and retention behavior in the previous 1-D column experiment. Thus, additional complexities will need to be considered, which will be accounted for in the M2-M5 model formulations. Additionally, because a viscous, shear thinning fluid was required to keep particles in suspension, considerations for flow will also need to also be accounted for. Therefore, a new immiscible two-phase flow mode is currently being implemented in PFLOTRAN. With some modifications, this new flow module could also support simulation of non-Newtonian liquid amendments, foams, and emulsions. We also estimated the expected ROI of solid amendments using 1-D simulations. The average predicted ROI was approximately 15 ft for micron-sized zero valent iron (mZVI) suspended in xanthan gum (XG). Using the pre screening tool and ROI estimates, additional amendment-delivery laboratory characterization and experiments are proposed. The results from additional experiments can be used to validate and parametrize particulate transport model formulations, which will ultimately provide predictive capabilities for field amendment-delivery systems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗