Thermodynamic Description of the ACl-ThCl<sub>4</sub> (A = Li, Na, K) Systems

The ACl-ThCl<inline-formula><math display="inline"><semantics><msub><mrow></mrow><mn>4</mn></msub></semantics></math></inline-formula> (A = Li, Na, K) systems could be of relevance to the nuclear industry in the near f...

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Main Authors: Jaén A. Ocádiz Flores, Bas A. S. Rooijakkers, Rudy J. M. Konings, Anna Louise Smith
Format: Article
Language:English
Published: MDPI AG 2021-07-01
Series:Thermo
Subjects:
Online Access:https://www.mdpi.com/2673-7264/1/2/9
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author Jaén A. Ocádiz Flores
Bas A. S. Rooijakkers
Rudy J. M. Konings
Anna Louise Smith
author_facet Jaén A. Ocádiz Flores
Bas A. S. Rooijakkers
Rudy J. M. Konings
Anna Louise Smith
author_sort Jaén A. Ocádiz Flores
collection DOAJ
description The ACl-ThCl<inline-formula><math display="inline"><semantics><msub><mrow></mrow><mn>4</mn></msub></semantics></math></inline-formula> (A = Li, Na, K) systems could be of relevance to the nuclear industry in the near future. A thermodynamic investigation of the three binary systems is presented herein. The excess Gibbs energy of the liquid solutions is described using the quasi-chemical formalism in the quadruplet approximation. The phase diagram optimisations are based on the experimental data available in the literature. The thermodynamic stability of the liquid solutions increases in the order Li < Na < K, in agreement with idealised interactions and structural models.
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spelling doaj.art-241661b3b5464576b72c538ab5247f082023-12-03T13:21:39ZengMDPI AGThermo2673-72642021-07-011212213310.3390/thermo1020009Thermodynamic Description of the ACl-ThCl<sub>4</sub> (A = Li, Na, K) SystemsJaén A. Ocádiz Flores0Bas A. S. Rooijakkers1Rudy J. M. Konings2Anna Louise Smith3Radiation Science & Technology Department, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft, The NetherlandsRadiation Science & Technology Department, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft, The NetherlandsRadiation Science & Technology Department, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft, The NetherlandsRadiation Science & Technology Department, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft, The NetherlandsThe ACl-ThCl<inline-formula><math display="inline"><semantics><msub><mrow></mrow><mn>4</mn></msub></semantics></math></inline-formula> (A = Li, Na, K) systems could be of relevance to the nuclear industry in the near future. A thermodynamic investigation of the three binary systems is presented herein. The excess Gibbs energy of the liquid solutions is described using the quasi-chemical formalism in the quadruplet approximation. The phase diagram optimisations are based on the experimental data available in the literature. The thermodynamic stability of the liquid solutions increases in the order Li < Na < K, in agreement with idealised interactions and structural models.https://www.mdpi.com/2673-7264/1/2/9thoriumthorium tetrachloridemolten salt reactorCALPHADquasi-chemical formalism
spellingShingle Jaén A. Ocádiz Flores
Bas A. S. Rooijakkers
Rudy J. M. Konings
Anna Louise Smith
Thermodynamic Description of the ACl-ThCl<sub>4</sub> (A = Li, Na, K) Systems
Thermo
thorium
thorium tetrachloride
molten salt reactor
CALPHAD
quasi-chemical formalism
title Thermodynamic Description of the ACl-ThCl<sub>4</sub> (A = Li, Na, K) Systems
title_full Thermodynamic Description of the ACl-ThCl<sub>4</sub> (A = Li, Na, K) Systems
title_fullStr Thermodynamic Description of the ACl-ThCl<sub>4</sub> (A = Li, Na, K) Systems
title_full_unstemmed Thermodynamic Description of the ACl-ThCl<sub>4</sub> (A = Li, Na, K) Systems
title_short Thermodynamic Description of the ACl-ThCl<sub>4</sub> (A = Li, Na, K) Systems
title_sort thermodynamic description of the acl thcl sub 4 sub a li na k systems
topic thorium
thorium tetrachloride
molten salt reactor
CALPHAD
quasi-chemical formalism
url https://www.mdpi.com/2673-7264/1/2/9
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AT basasrooijakkers thermodynamicdescriptionoftheaclthclsub4subalinaksystems
AT rudyjmkonings thermodynamicdescriptionoftheaclthclsub4subalinaksystems
AT annalouisesmith thermodynamicdescriptionoftheaclthclsub4subalinaksystems