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

Title: Thermodynamic modeling of the K-KCl and Mg-MgCl2 binary systems using the CALPHAD method

Abstract

Here, the Calculation of Phase Diagrams (CALPHAD) method uses models that reproduce and predict phase equilibria and thermochemical behavior. To date, the CALPHAD approach has been applied to the KCl-MgCl2 psuedobinary only. The two-sublattice modified quasi chemical (MQM) model, already developed for the KCl-MgCl2 melt and used extensively within the CALPHAD community to represent molten salts, is extended in this work to include excess K and Mg. Phase relations calculated using the MQM is compared to experimentally observed behavior for the K-KCl binary system. Gaps in the experimental data are identified and recommendations are given for better understanding the thermochemistry and phase equilibria.

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1459295
Alternate Identifier(s):
OSTI ID: 1582918
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Solar Energy
Additional Journal Information:
Journal Volume: 170; Journal Issue: C; Journal ID: ISSN 0038-092X
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; Molten salts; Solar thermal; Thermodynamics; Corrosion; CALPHAD method

Citation Formats

McMurray, Jake W., and Raiman, Stephen S. Thermodynamic modeling of the K-KCl and Mg-MgCl2 binary systems using the CALPHAD method. United States: N. p., 2018. Web. doi:10.1016/j.solener.2018.06.013.
McMurray, Jake W., & Raiman, Stephen S. Thermodynamic modeling of the K-KCl and Mg-MgCl2 binary systems using the CALPHAD method. United States. doi:10.1016/j.solener.2018.06.013.
McMurray, Jake W., and Raiman, Stephen S. Fri . "Thermodynamic modeling of the K-KCl and Mg-MgCl2 binary systems using the CALPHAD method". United States. doi:10.1016/j.solener.2018.06.013. https://www.osti.gov/servlets/purl/1459295.
@article{osti_1459295,
title = {Thermodynamic modeling of the K-KCl and Mg-MgCl2 binary systems using the CALPHAD method},
author = {McMurray, Jake W. and Raiman, Stephen S.},
abstractNote = {Here, the Calculation of Phase Diagrams (CALPHAD) method uses models that reproduce and predict phase equilibria and thermochemical behavior. To date, the CALPHAD approach has been applied to the KCl-MgCl2 psuedobinary only. The two-sublattice modified quasi chemical (MQM) model, already developed for the KCl-MgCl2 melt and used extensively within the CALPHAD community to represent molten salts, is extended in this work to include excess K and Mg. Phase relations calculated using the MQM is compared to experimentally observed behavior for the K-KCl binary system. Gaps in the experimental data are identified and recommendations are given for better understanding the thermochemistry and phase equilibria.},
doi = {10.1016/j.solener.2018.06.013},
journal = {Solar Energy},
number = C,
volume = 170,
place = {United States},
year = {2018},
month = {6}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Figures / Tables:

Figure 1. Figure 1.: Computed K-KCl phase diagram using the solution model for the melt developed in this work with the thermodynamic values from the FactSage 7.1 database [10] for pure components and stoichiometric compounds. Symbols are experimental points from [9].

Save / Share:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.