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Geologic Carbon Storage and Fracture Fate: Chemistry Heterogeneity Models and What to do with it all

Dewers, Thomas D.; Rinehart, Alex R.; Major, Jonathan R.; Lee, Sanghyun L.; Reber, Jacqueline R.; Choens, Robert C.; Feldman, Joshua D.; Eichhubl, Peter E.; Wheeler, Mary W.; Ganis, Ben G.; Hayman, Nick H.; Ilgen, Anastasia G.; Prodanovic, Masa P.; Bishop, Joseph E.; Balhoff, Matt B.; Espinoza, Nicolas E.; Martinez, Mario J.; Yoon, Hongkyu Y.

Abstract not provided.

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TYPE Conference Poster YEAR 2016
OSTI

Inelastic Neutron Scattering and Molecular Simulation of the Dynamics of Interlayer Water in Smectite Clay Minerals

Journal of Physical Chemistry C

Cygan, Randall T.; Daemen, Luke L.; Ilgen, Anastasia G.; Krumhansl, James L.; Nenoff, T.M.

The study of mineral-water interfaces is of great importance to a variety of applications including oil and gas extraction, gas subsurface storage, environmental contaminant treatment, and nuclear waste repositories. Understanding the fundamentals of that interface is key to the success of those applications. Confinement of water in the interlayer of smectite clay minerals provides a unique environment to examine the interactions among water molecules, interlayer cations, and clay mineral surfaces. Smectite minerals are characterized by a relatively low layer charge that allows the clay to swell with increasing water content. Montmorillonite and beidellite varieties of smectite were investigated to compare the impact of the location of layer charge on the interlayer structure and dynamics. Inelastic neutron scattering of hydrated and dehydrated cation-exchanged smectites was used to probe the dynamics of the interlayer water (200-900 cm-1 spectral region) and identify the shift in the librational edge as a function of the interlayer cation. Molecular dynamics simulations of equivalent phases and power spectra, derived from the resulting molecular trajectories, indicate a general shift in the librational behavior with interlayer cation that is generally consistent with the neutron scattering results for the monolayer hydrates. Both neutron scattering and power spectra exhibit librational structures affected by the location of layer charge and by the charge of the interlayer cation. Divalent cations (Ba2+ and Mg2+) characterized by large hydration enthalpies typically exhibit multiple broad librational peaks compared to monovalent cations (Cs+ and Na+), which have relatively small hydration enthalpies.

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TYPE Journal Article YEAR 2015
ScopusOSTIDOI

Draft Geologic Disposal Requirements Basis for STAD Specification

Ilgen, Anastasia G.; Bryan, Charles R.; Hardin, Ernest H.

This document provides the basis for requirements in the current version of Performance Specification for Standardized Transportation, Aging, and Disposal Canister Systems, (FCRD-NFST-2014-0000579) that are driven by storage and geologic disposal considerations. Performance requirements for the Standardized Transportation, Aging, and Disposal (STAD) canister are given in Section 3.1 of that report. Here, the requirements are reviewed and the rationale for each provided. Note that, while FCRD-NFST-2014-0000579 provides performance specifications for other components of the STAD storage system (e.g. storage overpack, transfer and transportation casks, and others), these have no impact on the canister performance during disposal, and are not discussed here.

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TYPE Other Report YEAR 2015
OSTIDOI
Results 76–100 of 112
Results 76–100 of 112