Publications

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Decalcification of cement in solutions of carbonated brine is important to a host of engineering applications, especially in subsurface service environments where cementitious materials are frequently utilized as engineered barriers for wellbore seals, as well as shaft and drift seals and waste forms for nuclear waste disposal. Analysis of leaching simulations and experiments shows that, depending on solution compositions (dissolved CO2 concentration, pH, Ca ion concentration), calcite precipitation occurring during leaching of cement in contact with carbonated brine can have a significant impact on cement reactivity, in some instances leading to complete arrest of reactivity via calcium carbonate “pore-clogging”. We present modeling and experimental results that examine the range of solution conditions that can lead to pore-clogging. Analysis of the results shows that distinct regimes of leaching behavior, based on pH and pCO2, can be used to form a framework to better understand the occurrence of pore-clogging.

This document is a summary of the R&D activities associated with the Engineered Barrier Systems Work Package. Multiple facets of Engineered Barrier Systems (EBS) research were examined in the course of FY18 activities. This report is focused on delvering an update on the status and progress of modelling tools and experimental methods, both of which are essential to understanding and predicting long-term repository performance as part of the safety case. Specifically, the work described herein aims to improve understanding of EBS component evolution and interactions. Utlimately, the EBS Work Package is working towards producing process models for distinct processes that can either be incorporated into performance assessment (PA), or provide critical information for implementing better contraints on barrier performance The main objective of this work is that the models being developed and refined will either be implemented directly into the Genreric Disposal System Analysis platform (GDSA), or can otherwise be indirectly linked to the performance assessment by providing improved bounding conditions. In either the case, the expectation is that validated modelling tools will be developed that provide critical input to the safety case. This report covers a range of topics — modelling topics include: thermal-hydrologic-mechnicalchemical coupling (THMC) in buffer materials, comparisons of modelling approaches to optimize computational efficiency, thermal analysis for EBS/repository design, benchmarking of thermal analysis tools, and a preliminary study of buffer re-saturation processess. Experimental work reported, includes: chemical evolution and sorption behavior of clay-based buffer materials and high-pressure, high temperature studies of EBS material interactions. The work leverages international collaborations to ensure that the DOE program is active and abreast of the latest advances in nuclear waste disposal. This includes participation in the HotBENT Field Test, aimed at understanding near-field effects on EBS materials at temperatures above 100 °C, and the analysis of data and characterization of samples from the FEBEX Field Test. Both the FEBEX and HotBENT Field Tests utilize/utilized the Grimsel Test Site in Switzerland, which is situated in a granite host rock. These tests offer the opportunity to understand near field evolution of bentonite buffer at in situ conditions for either a relatively long timescale (18 years for FEBEX) or temperature above 100 °C (HotBENT). Overall, this report provides in depth descriptions of tools and capabilities to investigate nearfield performance of EBS materials (esp. bentonite buffer), as well as tools for drift-scale thermal and thermal-hydrologic analysis critical to EBS and repository design. For a more detailed description of work contained herein, please see Section 10 ("Conclusions") of this document.

Predicting chemical-mechanical fracture initiation and propagation in materials is a critical problem, with broad relevance to a host of geoscience applications including subsurface storage and waste disposal, geothermal energy development, and oil and gas extraction. In this project, we have developed molecular simulation and coarse- graining techniques to obtain an atomistic-level understanding of the chemical- mechanical mechanisms that control subcritical crack propagation in materials under tension and impact the fracture toughness. We have applied these techniques to the fracture of fused quartz in vacuum, in distilled water, and in two salt solutions - 1M NaC1, 1M NaOH - that form relatively acidic and basic solutions respectively. We have also established the capability to conduct double-compression double-cleavage experiments in an environmental chamber to observe material fracture in aqueous solution. Both simulations and experiments indicate that fractures propagate fastest in NaC1 solutions, slower in distilled water, and even slower in air.

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The SNL Engineered Barrier System (EBS) International activities were focused on two main collaborative efforts for FY18: 1) Benchmarking semi-analytical codes used for thermal analysis, and 2) Benchmarking of reactive transport codes (including PFLOTRAN) used for chemical evolution of cementitious EBS components. The former topic, was completed over the course of FY18, while the latter has just begun in the latter half of FY18 under the aegis of additional appropriations and scoped as "Additional FY18 Activities". This report contains a complete summary of Item #1, as well as a status update on the progress of Item #2.

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This project plan gives a high-level description of the US Department of Energy Office of Nuclear Energy (DOE-NE) Spent Fuel and Waste Disposition (SFWD) campaign in situ borehole heater test project being planned for the Waste Isolation Pilot Plant (WIPP) site This plan provides an overview of the schedule and responsibilities of the parties involved. This project is a collaborative effort by Sandia, Los Alamos, and Lawrence Berkeley National Laboratories to execute a series of small-diameter borehole heater tests in salt for the DOE-NE SFWD campaign. Design of a heater test in salt at WIPP has evolved over several years. The current design was completed in fiscal year 2017 (FY17), an equipment shakedown experiment is underway in April FY18, and the test implementation will begin in summer of FY18. The project comprises a suite of modular tests, which consist of a group of nearby boreholes in the wall of drifts at WIPP. Each test is centered around a packer-isolated heated borehole (5" diameter) containing equipment for water-vapor collection and brine sampling, surrounded by smaller-diameter (2" diameter) satellite observation boreholes. Observation boreholes will contain temperature sensors, tracer release points, electrical resistivity tomography (ERT) sensors, fiber optic sensing, and acoustic emission (AE) measurements, and sonic velocity sources and sensors. These satellite boreholes will also be used for plugging/sealing tests. The first two tests to be implemented will have the packer-isolated borehole heated to 120°C, with one observation borehole used to monitor changes. Follow-on tests will be designed using information gathered from the first two tests, will be conducted at other temperatures, will use multiple observation boreholes, and may include other measurement types and test designs.

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Desirable outcomes for geologic carbon storage include maximizing storage efficiency, preserving injectivity, and avoiding unwanted consequences such as caprock or wellbore leakage or induced seismicity during and post injection. To achieve these outcomes, three control measures are evident including pore pressure, injectate chemistry, and knowledge and prudent use of geologic heterogeneity. Field, experimental, and modeling examples are presented that demonstrate controllable GCS via these three measures. Observed changes in reservoir response accompanying CO2 injection at the Cranfield (Mississippi, USA) site, along with lab testing, show potential for use of injectate chemistry as a means to alter fracture permeability (with concomitant improvements for sweep and storage efficiency). Further control of reservoir sweep attends brine extraction from reservoirs, with benefit for pressure control, mitigation of reservoir and wellbore damage, and water use. State-of-the-art validated models predict the extent of damage and deformation associated with pore pressure hazards in reservoirs, timing and location of networks of fractures, and development of localized leakage pathways. Experimentally validated geomechanics models show where wellbore failure is likely to occur during injection, and efficiency of repair methods. Use of heterogeneity as a control measure includes where best to inject, and where to avoid attempts at storage. An example is use of waste zones or leaky seals to both reduce pore pressure hazards and enhance residual CO2 trapping.

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Molecular structures of kerogen control hydrocarbon production in unconventional reservoirs. Significant progress has been made in developing model representations of various kerogen structures. These models have been widely used for the prediction of gas adsorption and migration in shale matrix. However, using density functional perturbation theory (DFPT) calculations and vibrational spectroscopic measurements, we here show that a large gap may still remain between the existing model representations and actual kerogen structures, therefore calling for new model development. Using DFPT, we calculated Fourier transform infrared (FTIR) spectra for six most widely used kerogen structure models. The computed spectra were then systematically compared to the FTIR absorption spectra collected for kerogen samples isolated from Mancos, Woodford and Marcellus formations representing a wide range of kerogen origin and maturation conditions. Limited agreement between the model predictions and the measurements highlights that the existing kerogen models may still miss some key features in structural representation. A combination of DFPT calculations with spectroscopic measurements may provide a useful diagnostic tool for assessing the adequacy of a proposed structural model as well as for future model development. This approach may eventually help develop comprehensive infrared (IR)-fingerprints for tracing kerogen evolution.

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