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Title: Phase Behavior of Aqueous NA-K-MG-CA-CI-NO3 Mixtures: Isopiestic Measurements and Thermodynamic Modeling

Abstract

A comprehensive model has been established for calculating thermodynamic properties of multicomponent aqueous systems containing the Na{sup +}, K{sup +}, Mg{sup 2+}, Ca{sup 2+}, Cl{sup -}, and NO{sub 3}{sup -} ions. The thermodynamic framework is based on a previously developed model for mixed-solvent electrolyte solutions. The framework has been designed to reproduce the properties of salt solutions at temperatures ranging from the freezing point to 300 C and concentrations ranging from infinite dilution to the fused salt limit. The model has been parameterized using a combination of an extensive literature database and new isopiestic measurements for thirteen salt mixtures at 140 C. The measurements have been performed using Oak Ridge National Laboratory's (ORNL) previously designed gravimetric isopiestic apparatus, which makes it possible to detect solid phase precipitation. Water activities are reported for mixtures with a fixed ratio of salts as a function of the total apparent salt mole fraction. The isopiestic measurements reported here simultaneously reflect two fundamental properties of the system, i.e., the activity of water as a function of solution concentration and the occurrence of solid-liquid transitions. The thermodynamic model accurately reproduces the new isopiestic data as well as literature data for binary, ternary and higher-order subsystems. Becausemore » of its high accuracy in calculating vapor-liquid and solid-liquid equilibria, the model is suitable for studying deliquescence behavior of multicomponent salt systems.« less

Authors:
; ; ; ;
Publication Date:
Research Org.:
Yucca Mountain Project, Las Vegas, Nevada
Sponsoring Org.:
USDOE
OSTI Identifier:
899269
Report Number(s):
NA
MOL.20061204.0188, DC# 48644; TRN: US200709%%99
DOE Contract Number:  
NA
Resource Type:
Journal Article
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; AQUEOUS SOLUTIONS; CALCIUM CHLORIDES; MAGNESIUM CHLORIDES; POTASSIUM CHLORIDES; SODIUM CHLORIDES; CALCIUM NITRATES; MAGNESIUM NITRATES; POTASSIUM NITRATES; SODIUM NITRATES; PHASE STUDIES; THERMODYNAMIC PROPERTIES; MATHEMATICAL MODELS

Citation Formats

Gruszkiewiez, M S, Palmer, D A, Springer, R D, Wang, P, and Anderko, A. Phase Behavior of Aqueous NA-K-MG-CA-CI-NO3 Mixtures: Isopiestic Measurements and Thermodynamic Modeling. United States: N. p., 2006. Web.
Gruszkiewiez, M S, Palmer, D A, Springer, R D, Wang, P, & Anderko, A. Phase Behavior of Aqueous NA-K-MG-CA-CI-NO3 Mixtures: Isopiestic Measurements and Thermodynamic Modeling. United States.
Gruszkiewiez, M S, Palmer, D A, Springer, R D, Wang, P, and Anderko, A. Thu . "Phase Behavior of Aqueous NA-K-MG-CA-CI-NO3 Mixtures: Isopiestic Measurements and Thermodynamic Modeling". United States. https://www.osti.gov/servlets/purl/899269.
@article{osti_899269,
title = {Phase Behavior of Aqueous NA-K-MG-CA-CI-NO3 Mixtures: Isopiestic Measurements and Thermodynamic Modeling},
author = {Gruszkiewiez, M S and Palmer, D A and Springer, R D and Wang, P and Anderko, A},
abstractNote = {A comprehensive model has been established for calculating thermodynamic properties of multicomponent aqueous systems containing the Na{sup +}, K{sup +}, Mg{sup 2+}, Ca{sup 2+}, Cl{sup -}, and NO{sub 3}{sup -} ions. The thermodynamic framework is based on a previously developed model for mixed-solvent electrolyte solutions. The framework has been designed to reproduce the properties of salt solutions at temperatures ranging from the freezing point to 300 C and concentrations ranging from infinite dilution to the fused salt limit. The model has been parameterized using a combination of an extensive literature database and new isopiestic measurements for thirteen salt mixtures at 140 C. The measurements have been performed using Oak Ridge National Laboratory's (ORNL) previously designed gravimetric isopiestic apparatus, which makes it possible to detect solid phase precipitation. Water activities are reported for mixtures with a fixed ratio of salts as a function of the total apparent salt mole fraction. The isopiestic measurements reported here simultaneously reflect two fundamental properties of the system, i.e., the activity of water as a function of solution concentration and the occurrence of solid-liquid transitions. The thermodynamic model accurately reproduces the new isopiestic data as well as literature data for binary, ternary and higher-order subsystems. Because of its high accuracy in calculating vapor-liquid and solid-liquid equilibria, the model is suitable for studying deliquescence behavior of multicomponent salt systems.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2006},
month = {9}
}