Use of the Soft-Sphere Equation of State to predict the thermodynamic properties of the molten salt mixtures LiF–BeF2, NaF–BeF2, and KF–BeF2
A Soft-Sphere Equation of State for the calculation of the thermodynamic properties of molten fluoride salt mixtures is presented. The mixtures considered were binary mixtures of beryllium difluoride (BeF2) and alkali fluorides, which include lithium fluoride (LiF), sodium fluoride (NaF), and potass...
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| Published in | Progress in nuclear energy (New series) Vol. 68; pp. 188 - 199 |
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| Main Authors | , , |
| Format | Journal Article |
| Language | English |
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01.09.2013
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| Abstract | A Soft-Sphere Equation of State for the calculation of the thermodynamic properties of molten fluoride salt mixtures is presented. The mixtures considered were binary mixtures of beryllium difluoride (BeF2) and alkali fluorides, which include lithium fluoride (LiF), sodium fluoride (NaF), and potassium fluoride (KF). The parameters of the Equation of State were determined by multi-property non-linear regression between experimental data and values calculated from the equation. A mixing rule was developed to represent the thermodynamic properties of the binary mixtures. The correlations are valid in the liquid phase for temperatures ranging from 550 K to about 1200 K, depending on the salt. Comparison of the experimental data to values calculated from the correlations indicates that densities can be calculated to within ±4%, enthalpies within ±5%, and heat capacities within ±6%.
•The thermodynamic properties of molten BeF2 were modeled.•The Soft-Sphere Equation of State (SSEOS) was used for this.•Parameters of SSEOS were determined by regression to data.•SSEOS was then modified to work on LiF–BeF2, NaF–BeF2, and KF–BeF2. |
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| AbstractList | A Soft-Sphere Equation of State for the calculation of the thermodynamic properties of molten fluoride salt mixtures is presented. The mixtures considered were binary mixtures of beryllium difluoride (BeF2) and alkali fluorides, which include lithium fluoride (LiF), sodium fluoride (NaF), and potassium fluoride (KF). The parameters of the Equation of State were determined by multi-property non-linear regression between experimental data and values calculated from the equation. A mixing rule was developed to represent the thermodynamic properties of the binary mixtures. The correlations are valid in the liquid phase for temperatures ranging from 550 K to about 1200 K, depending on the salt. Comparison of the experimental data to values calculated from the correlations indicates that densities can be calculated to within ±4%, enthalpies within ±5%, and heat capacities within ±6%.
•The thermodynamic properties of molten BeF2 were modeled.•The Soft-Sphere Equation of State (SSEOS) was used for this.•Parameters of SSEOS were determined by regression to data.•SSEOS was then modified to work on LiF–BeF2, NaF–BeF2, and KF–BeF2. |
| Author | Penoncello, Steven G. Crepeau, John C. Griffard, Cory |
| Author_xml | – sequence: 1 givenname: Cory surname: Griffard fullname: Griffard, Cory email: cgriffard@vandals.uidaho.edu organization: Center for Advanced Thermodynamic Studies, University of Idaho, Moscow, ID 83844-0902, USA – sequence: 2 givenname: Steven G. surname: Penoncello fullname: Penoncello, Steven G. email: stevep@uidaho.edu organization: Mechanical Engineering Department, University of Idaho, Gauss-Johnson 234D, Moscow, ID 83844-0902, USA – sequence: 3 givenname: John C. surname: Crepeau fullname: Crepeau, John C. email: crepeau@uidaho.edu organization: Mechanical Engineering Department, University of Idaho, Engineering Physics Building 324I, Moscow, ID 83844-0902, USA |
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| CitedBy_id | crossref_primary_10_1016_j_jnucmat_2024_155201 crossref_primary_10_1016_j_jnucmat_2022_154031 crossref_primary_10_1016_j_molliq_2022_118915 crossref_primary_10_1039_D4CP00079J crossref_primary_10_1016_j_molliq_2023_123681 crossref_primary_10_1021_jacsau_4c00177 |
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Part I: prediction of thermodynamic properties through use of the Soft-Sphere Equation of State publication-title: Progress in Nuclear Energy doi: 10.1016/j.pnucene.2013.06.004 contributor: fullname: Griffard – volume: 52 start-page: 4931 year: 1970 ident: 10.1016/j.pnucene.2013.06.008_bib15 article-title: Soft-Sphere Equation of State publication-title: Journal of Chemical Physics doi: 10.1063/1.1672728 contributor: fullname: Hoover – year: 2006 ident: 10.1016/j.pnucene.2013.06.008_bib1 contributor: fullname: Askelund – year: 1956 ident: 10.1016/j.pnucene.2013.06.008_bib12 contributor: fullname: Cohen |
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| Title | Use of the Soft-Sphere Equation of State to predict the thermodynamic properties of the molten salt mixtures LiF–BeF2, NaF–BeF2, and KF–BeF2 |
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