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

McMurray, Jake W.; Raiman, Stephen S.

doi:10.1016/j.solener.2018.06.013

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:

^[1];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: Fri Jun 22 00:00:00 EDT 2018

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.

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                    McMurray, Jake W., & Raiman, Stephen S. Thermodynamic modeling of the K-KCl and Mg-MgCl2 binary systems using the CALPHAD method.  United States.  https://doi.org/10.1016/j.solener.2018.06.013

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                    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.  https://doi.org/10.1016/j.solener.2018.06.013.  https://www.osti.gov/servlets/purl/1459295.

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@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         = {Fri Jun 22 00:00:00 EDT 2018},

  month        = {Fri Jun 22 00:00:00 EDT 2018}

}

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https://doi.org/10.1016/j.solener.2018.06.013

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Cited by: 6 works

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Figures / Tables:

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].

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

Abstract

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