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Title: In-Drift Precipitates/Salts Model

Abstract

As directed by ''Technical Work Plan For: Engineered Barrier System Department Modeling and Testing FY03 Work Activities'' (BSC 2003 [165601]), the In-Drift Precipitates/Salts (IDPS) model is developed and refined to predict the aqueous geochemical effects of evaporation in the proposed repository. The purpose of this work is to provide a model for describing and predicting the postclosure effects of evaporation and deliquescence on the chemical composition of water within the proposed Engineered Barrier System (EBS). Application of this model is to be documented elsewhere for the Total System Performance Assessment License Application (TSPA-LA). The principal application of this model is to be documented in REV 02 of ''Engineered Barrier System: Physical and Chemical Environment Model'' (BSC 2003 [165601]). The scope of this document is to develop, describe, and validate the IDPS model. This model is a quasi-equilibrium model. All reactions proceed to equilibrium except for several suppressed minerals in the thermodynamic database not expected to form under the proposed repository conditions within the modeling timeframe. In this revision, upgrades to the EQ3/6 code (Version 8.0) and Pitzer thermodynamic database improve the applicable range of the model. These new additions allow equilibrium and reaction-path modeling of evaporation to highly concentrated brinesmore » for potential water compositions of the system Na-K-H-Mg-Ca-Al-Cl-F-NO{sub 3}-SO{sub 4}-Br-CO{sub 3}-SiO{sub 2}-CO{sub 2}-O{sub 2}-H{sub 2}O at temperatures in the range of 0 C to 125 C, pressures in the atmospheric range, and relative humidity in the range of 0 to 100 percent. This system applies to oxidizing conditions only, and therefore limits the model to applications involving oxidizing conditions. A number of thermodynamic parameters in the Pitzer database have values that have not been determined or verified for the entire temperature range. In these cases, the known values are used to approximate the values for the rest of the temperature range. Although such treatment contributes to uncertainty in model outputs, the model validation test cases indicate that the model, with its associated uncertainty, is valid for its intended use. The intended use of this model is to estimate and tabulate, within an appropriate level of confidence, the effects of evaporation, deliquescence, and potential environmental conditions on the pH, ionic strength, and chemical compositions of water and minerals on the drip shield or other location within the drift during the postclosure period.« less

Authors:
Publication Date:
Research Org.:
Yucca Mountain Project, Las Vegas, Nevada (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
828239
Report Number(s):
ANL-EBS-MD-000045, Rev. 01
DOC.20031028.0003, DC34464; TRN: US0500915
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: 21 Oct 2003
Country of Publication:
United States
Language:
English
Subject:
12 MANAGEMENT OF RADIOACTIVE WASTES, AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES; 99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; BRINES; CHEMICAL COMPOSITION; EVAPORATION; HUMIDITY; LICENSE APPLICATIONS; PERFORMANCE; COMPUTERIZED SIMULATION; THERMODYNAMICS; VALIDATION; RADIOACTIVE WASTE FACILITIES; YUCCA MOUNTAIN; CONTAINMENT SYSTEMS; SALTS; GEOCHEMISTRY; WATER INFLUX

Citation Formats

P. Mariner. In-Drift Precipitates/Salts Model. United States: N. p., 2003. Web. doi:10.2172/828239.
P. Mariner. In-Drift Precipitates/Salts Model. United States. doi:10.2172/828239.
P. Mariner. Tue . "In-Drift Precipitates/Salts Model". United States. doi:10.2172/828239. https://www.osti.gov/servlets/purl/828239.
@article{osti_828239,
title = {In-Drift Precipitates/Salts Model},
author = {P. Mariner},
abstractNote = {As directed by ''Technical Work Plan For: Engineered Barrier System Department Modeling and Testing FY03 Work Activities'' (BSC 2003 [165601]), the In-Drift Precipitates/Salts (IDPS) model is developed and refined to predict the aqueous geochemical effects of evaporation in the proposed repository. The purpose of this work is to provide a model for describing and predicting the postclosure effects of evaporation and deliquescence on the chemical composition of water within the proposed Engineered Barrier System (EBS). Application of this model is to be documented elsewhere for the Total System Performance Assessment License Application (TSPA-LA). The principal application of this model is to be documented in REV 02 of ''Engineered Barrier System: Physical and Chemical Environment Model'' (BSC 2003 [165601]). The scope of this document is to develop, describe, and validate the IDPS model. This model is a quasi-equilibrium model. All reactions proceed to equilibrium except for several suppressed minerals in the thermodynamic database not expected to form under the proposed repository conditions within the modeling timeframe. In this revision, upgrades to the EQ3/6 code (Version 8.0) and Pitzer thermodynamic database improve the applicable range of the model. These new additions allow equilibrium and reaction-path modeling of evaporation to highly concentrated brines for potential water compositions of the system Na-K-H-Mg-Ca-Al-Cl-F-NO{sub 3}-SO{sub 4}-Br-CO{sub 3}-SiO{sub 2}-CO{sub 2}-O{sub 2}-H{sub 2}O at temperatures in the range of 0 C to 125 C, pressures in the atmospheric range, and relative humidity in the range of 0 to 100 percent. This system applies to oxidizing conditions only, and therefore limits the model to applications involving oxidizing conditions. A number of thermodynamic parameters in the Pitzer database have values that have not been determined or verified for the entire temperature range. In these cases, the known values are used to approximate the values for the rest of the temperature range. Although such treatment contributes to uncertainty in model outputs, the model validation test cases indicate that the model, with its associated uncertainty, is valid for its intended use. The intended use of this model is to estimate and tabulate, within an appropriate level of confidence, the effects of evaporation, deliquescence, and potential environmental conditions on the pH, ionic strength, and chemical compositions of water and minerals on the drip shield or other location within the drift during the postclosure period.},
doi = {10.2172/828239},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2003},
month = {10}
}