skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: FY11 Development of Fully Coupled Repository THCM Simulation Tools Report: Thermodynamic Database Development, with Emphasis on Complex Clay Minerals

Abstract

Thermodynamic data are essential for understanding and evaluating geochemical processes, as by speciation-solubility calculations, reaction -path modeling, or reactive transport simulation. These data are required to evaluate both equilibrium states and the kinetic approach to such states (via the affinity term in rate laws). The development of thermodynamic databases for these purposes has a long history in geochemistry (e.g., Garrels and Christ, 1965; Helgeson et al., 1969; Helgeson et al., 1978, Johnson et al., 1992; Robie and Hemingway, 1995), paralleled by related and applicable work in the larger scientific community (e.g., Wagman et al., 1982, 1989; Cox et al., 1989; Barin and Platzki, 1995; Binneweis and Milke, 1999). The Yucca Mountain Project developed two qualified thermodynamic databases for to model geochemical processes, including ones involving repository components such as spent fuel. The first of the two (BSC, 2007a) was for systems containing dilute aqueous solutions only, the other (BSC, 2007b) for systems involving concentrated aqueous solutions and incorporating a model for such based on Pitzer’s (1991) equations . A 25°C-only database with similarities to the latter was also developed for WIPP (cf. Xiong, 2005). The YMP dilute systems database is widely used in the geochemistry community for a variety ofmore » applications involving rock/water interactions. The purpose of the present task is to improve these databases for work on the Used Fuel Disposition Project and maintain some semblance of order that will support qualification in support of the development of future underground high level nuclear waste disposal.« less

Authors:
 [1];  [1];  [2]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE
Contributing Org.:
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
OSTI Identifier:
1113513
Report Number(s):
LLNL-TR-493102
DOE Contract Number:  
AC52-07NA27344
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES

Citation Formats

Wolery, Thomas J., Tayne, Andrew, and Jove-Colon, Carlos F. FY11 Development of Fully Coupled Repository THCM Simulation Tools Report: Thermodynamic Database Development, with Emphasis on Complex Clay Minerals. United States: N. p., 2011. Web. doi:10.2172/1113513.
Wolery, Thomas J., Tayne, Andrew, & Jove-Colon, Carlos F. FY11 Development of Fully Coupled Repository THCM Simulation Tools Report: Thermodynamic Database Development, with Emphasis on Complex Clay Minerals. United States. doi:10.2172/1113513.
Wolery, Thomas J., Tayne, Andrew, and Jove-Colon, Carlos F. Fri . "FY11 Development of Fully Coupled Repository THCM Simulation Tools Report: Thermodynamic Database Development, with Emphasis on Complex Clay Minerals". United States. doi:10.2172/1113513. https://www.osti.gov/servlets/purl/1113513.
@article{osti_1113513,
title = {FY11 Development of Fully Coupled Repository THCM Simulation Tools Report: Thermodynamic Database Development, with Emphasis on Complex Clay Minerals},
author = {Wolery, Thomas J. and Tayne, Andrew and Jove-Colon, Carlos F.},
abstractNote = {Thermodynamic data are essential for understanding and evaluating geochemical processes, as by speciation-solubility calculations, reaction -path modeling, or reactive transport simulation. These data are required to evaluate both equilibrium states and the kinetic approach to such states (via the affinity term in rate laws). The development of thermodynamic databases for these purposes has a long history in geochemistry (e.g., Garrels and Christ, 1965; Helgeson et al., 1969; Helgeson et al., 1978, Johnson et al., 1992; Robie and Hemingway, 1995), paralleled by related and applicable work in the larger scientific community (e.g., Wagman et al., 1982, 1989; Cox et al., 1989; Barin and Platzki, 1995; Binneweis and Milke, 1999). The Yucca Mountain Project developed two qualified thermodynamic databases for to model geochemical processes, including ones involving repository components such as spent fuel. The first of the two (BSC, 2007a) was for systems containing dilute aqueous solutions only, the other (BSC, 2007b) for systems involving concentrated aqueous solutions and incorporating a model for such based on Pitzer’s (1991) equations . A 25°C-only database with similarities to the latter was also developed for WIPP (cf. Xiong, 2005). The YMP dilute systems database is widely used in the geochemistry community for a variety of applications involving rock/water interactions. The purpose of the present task is to improve these databases for work on the Used Fuel Disposition Project and maintain some semblance of order that will support qualification in support of the development of future underground high level nuclear waste disposal.},
doi = {10.2172/1113513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2011},
month = {7}
}

Technical Report:

Save / Share: