Calculated thermodynamic properties of GdCl3 in LiCl-KCl eutectic molten salt

Zhou, Wentao; Wang, Yafei; Zhang, Jinsuo; Khafizov, Marat

doi:10.1016/j.jnucmat.2018.05.030

Title: Calculated thermodynamic properties of GdCl₃ in LiCl-KCl eutectic molten salt

Journal Article · 25 May 2018 · Journal of Nuclear Materials

DOI: https://doi.org/10.1016/j.jnucmat.2018.05.030 · OSTI ID:1538507

Zhou, Wentao ^[1]; Wang, Yafei ^[2]; Zhang, Jinsuo ^[3];

^[4]

Shanghai Jiao Tong University (China); The Ohio State University, Columbus, OH (United States); DOE/OSTI
Virginia Polytechnic Institute and State University, Blacksburg, VA (United States)
The Ohio State University, Columbus, OH (United States); Virginia Polytechnic Institute and State University, Blacksburg, VA (United States)
The Ohio State University, Columbus, OH (United States)

The thermodynamic behaviors of lanthanides in molten salt are significant for the pyroprocessing of spent nuclear fuel. In this study, the ternary phase diagram of LiCl-KCl-GdCl₃ system was assessed by the CALPHAD method using two-sublattice model. The liquidus surfaces were calculated and plotted from 720 K to 1000 K. The solubility of GdCl₃ from 720 K to 850 K was determined from the phase diagram developed. The activity coefficient and apparent potential of GdCl₃ with a concentration up to 3 mol% were also investigated. They both show a dependence on the concentration. In conclusion, From 0 to 3 mol%, the apparent potential increases by about 3% and the activity coefficient increases by about 50%.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: The Ohio State University, Columbus, OH (United States)

Sponsoring Organization:: USDOE; USDOE Office of Fossil Energy and Carbon Management (FECM); USDOE Office of Nuclear Energy (NE). Nuclear Energy University Program (NEUP)

Grant/Contract Number:: NE0008261

OSTI ID:: 1538507

Journal Information:: Journal of Nuclear Materials, Journal Name: Journal of Nuclear Materials Journal Issue: C Vol. 508; ISSN 0022-3115

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (38)

Ternäre Chloride in den Systemen ACl/EuCl₃(A = NaCs) Seifert, H. ‐J.; Sandrock, J. Zeitschrift für anorganische und allgemeine Chemie, Vol. 587, Issue 1 https://doi.org/10.1002/zaac.19905870113	journal	August 1990
A two-sublattice model for molten solutions with different tendency for ionization Hillert, Mats; Jansson, Bo; Sundman, Bo Metallurgical Transactions A, Vol. 16, Issue 1 https://doi.org/10.1007/BF02815307	journal	January 1985
Zur existenz von KGd3Cl10 Frenzel, J. Inorganic and Nuclear Chemistry Letters, Vol. 6, Issue 4 https://doi.org/10.1016/0020-1650(70)80189-1	journal	April 1970
Modification of the two-sublattice model for liquids Sundman, Bo Calphad, Vol. 15, Issue 2 https://doi.org/10.1016/0364-5916(91)90010-H	journal	April 1991
A general “geometric” thermodynamic model for multicomponent solutions Pelton, Arthur D. Calphad, Vol. 25, Issue 2 https://doi.org/10.1016/S0364-5916(01)00052-9	journal	June 2001
Thermo-Calc & DICTRA, computational tools for materials science Andersson, J-O; Helander, Thomas; Höglund, Lars Calphad, Vol. 26, Issue 2 https://doi.org/10.1016/S0364-5916(02)00037-8	journal	June 2002
Phase diagram of the ternary system CeCl3–KCl–LiCl Shujian, Tian; Qingfan, Li; Shixiang, Liu Journal of Alloys and Compounds, Vol. 274, Issue 1-2 https://doi.org/10.1016/S0925-8388(98)00551-9	journal	June 1998
Integrated model development for safeguarding pyroprocessing facility: Part II – Case studies and model integration Zhou, Wentao; Wang, Yafei; Zhang, Jinsuo Annals of Nuclear Energy, Vol. 112 https://doi.org/10.1016/j.anucene.2017.09.036	journal	February 2018
Concentration-dependent activity coefficients of lanthanides in liquid bismuth for the FHR primary coolant cleanup Wang, Yafei; Zhou, Wentao; Guo, Shaoqiang Annals of Nuclear Energy, Vol. 113 https://doi.org/10.1016/j.anucene.2017.11.017	journal	March 2018
Experimental investigations and thermodynamic modelling of KCl–LiCl–UCl3 system Ghosh, Suddhasattwa; Prabhakara Reddy, B.; Nagarajan, K. Calphad, Vol. 45 https://doi.org/10.1016/j.calphad.2013.11.001	journal	June 2014
Thermodynamic assessment of the LiCl–KCl–CeCl3 system He, Maogang; Lu, Guangxuan; Kang, Zhangyang Calphad, Vol. 49 https://doi.org/10.1016/j.calphad.2015.01.006	journal	June 2015
Electrochemical behaviour of LaCl3 at tungsten and aluminium cathodes in LiCl–KCl eutectic melt Vandarkuzhali, S.; Gogoi, Nibedita; Ghosh, Suddhasattwa Electrochimica Acta, Vol. 59 https://doi.org/10.1016/j.electacta.2011.10.062	journal	January 2012
Electrochemical behavior of LaCl3 and morphology of La deposit on molybdenum substrate in molten LiCl–KCl eutectic salt Tang, Hao; Pesic, Batric Electrochimica Acta, Vol. 119 https://doi.org/10.1016/j.electacta.2013.11.148	journal	February 2014
Potentiometric Measurement of Activity of Rare Earth Chlorides (La, Gd, Ce, Nd) in LiCl-KCl Eutectic Salt Bagri, Prashant; Simpson, Michael F. Electrochimica Acta, Vol. 259 https://doi.org/10.1016/j.electacta.2017.10.082	journal	January 2018
Electrochemical behavior of actinides and actinide nitrides in LiCl–KCl eutectic melts Shirai, Osamu; Yamana, Hajimu; Arai, Yasuo Journal of Alloys and Compounds, Vol. 408-412 https://doi.org/10.1016/j.jallcom.2005.04.119	journal	February 2006
Thermodynamic evaluation of LiCl-KCl-PuCl3 system Zhou, Wentao; Zhang, Jinsuo Journal of Alloys and Compounds, Vol. 695 https://doi.org/10.1016/j.jallcom.2016.11.092	journal	February 2017
Thermochemical properties of lanthanides (Ln=La,Nd) and actinides (An=U,Np,Pu,Am) in the molten LiCl–KCl eutectic Masset, Patrick; Konings, Rudy J. M.; Malmbeck, Rikard Journal of Nuclear Materials, Vol. 344, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2005.04.038	journal	September 2005
Electrochemical behaviour of gadolinium ion in molten LiCl–KCl eutectic Caravaca, C.; de Córdoba, G.; Tomás, M. J. Journal of Nuclear Materials, Vol. 360, Issue 1 https://doi.org/10.1016/j.jnucmat.2006.08.009	journal	January 2007
Estimation of key physical properties for LaCl3 in molten eutectic LiCl–KCl by fitting cyclic voltammetry data to a BET-based electrode reaction kinetics model Samin, Adib; Wang, Zhonghang; Lahti, Erik Journal of Nuclear Materials, Vol. 475 https://doi.org/10.1016/j.jnucmat.2016.04.002	journal	July 2016
Investigation of concentration-dependence of thermodynamic properties of lanthanum, yttrium, scandium and terbium in eutectic LiCl-KCl molten salt Wang, Yafei; Zhou, Wentao; Zhang, Jinsuo Journal of Nuclear Materials, Vol. 478 https://doi.org/10.1016/j.jnucmat.2016.05.043	journal	September 2016
Determination of activity coefficient of lanthanum chloride in molten LiCl-KCl eutectic salt as a function of cesium chloride and lanthanum chloride concentrations using electromotive force measurements Bagri, Prashant; Simpson, Michael F. Journal of Nuclear Materials, Vol. 482 https://doi.org/10.1016/j.jnucmat.2016.10.006	journal	December 2016
Thermodynamic properties of fission products (Pr, Ce, Er) in liquid bismuth by thermodynamic assessment Wang, Yafei; Zhou, Wentao; Guo, Shaoqiang Journal of Nuclear Materials, Vol. 495 https://doi.org/10.1016/j.jnucmat.2017.08.016	journal	November 2017
Kinetic model for electrorefining, part II: Model applications and case studies Zhang, Jinsuo Progress in Nuclear Energy, Vol. 70 https://doi.org/10.1016/j.pnucene.2013.03.008	journal	January 2014
Chemical diffusion coefficient calculation of U3+ in LiCl-KCl molten salt Zhou, Wentao; Zhang, Jinsuo Progress in Nuclear Energy, Vol. 91 https://doi.org/10.1016/j.pnucene.2016.04.017	journal	August 2016
Algebraic Representation of Thermodynamic Properties and the Classification of Solutions Redlich, Otto; Kister, A. T. Industrial & Engineering Chemistry, Vol. 40, Issue 2 https://doi.org/10.1021/ie50458a036	journal	February 1948
Enthalpies de formation des alliages liquides bismuth-étain-gallium à 723 k. Choix d’une représentation analytique des grandeurs d’excès intégrales et partielles de mélange Muggianu, Yves-Marie; Gambino, Michèle; Bros, Jean-Pierre Journal de Chimie Physique, Vol. 72 https://doi.org/10.1051/jcp/1975720083	journal	January 1975
The thermodynamic and transport properties of GdCl₃ in molten eutectic LiCl-KCl derived from the analysis of cyclic voltammetry signals Samin, Adib; Wu, Evan; Zhang, Jinsuo Journal of Applied Physics, Vol. 121, Issue 7 https://doi.org/10.1063/1.4976570	journal	February 2017
An Experimental Study of Molten Salt Electrorefining of Uranium Using Solid Iron Cathode and Liquid Cadmium Cathode for Development of Pyrometallurgical Reprocessing KOYAMA, Tadafumi; IIZUKA, Masatoshi; SHOJI, Yuichi Journal of Nuclear Science and Technology, Vol. 34, Issue 4, p. 384-393 https://doi.org/10.1080/18811248.1997.9733678	journal	April 1997
Investigations of the specific heat of solid bodies Kopp, Hermann Philosophical Transactions of the Royal Society of London, Vol. 155, p. 71-202 https://doi.org/10.1098/rstl.1865.0003	journal	January 1865
Thermodynamic Properties for Rare Earths and Americium in Pyropartitioning Process Solvents Fusselman, S. P. Journal of The Electrochemical Society, Vol. 146, Issue 7 https://doi.org/10.1149/1.1391974	journal	January 1999
Electrochemical Studies of LaCl[sub 3] and GdCl[sub 3] Dissolved in Fused LiCl-KCl Lantelme, Frédéric Journal of The Electrochemical Society, Vol. 146, Issue 11 https://doi.org/10.1149/1.1392604	journal	January 1999
Electrochemical Behavior and Some Thermodynamic Properties of UCl[sub 4] and UCl[sub 3] Dissolved in a LiCl-KCl Eutectic Melt Kuznetsov, S. A.; Hayashi, H.; Minato, K. Journal of The Electrochemical Society, Vol. 152, Issue 4 https://doi.org/10.1149/1.1864532	journal	January 2005
Electrochemistry of Uranium in Molten LiCl-KCl Eutectic Masset, Patrick; Bottomley, David; Konings, Rudy Journal of The Electrochemical Society, Vol. 152, Issue 6 https://doi.org/10.1149/1.1901083	journal	January 2005
Electrochemistry and Electrocrystallization of Gadolinium on Mo Substrate in LiCl–KCl Eutectic Salts Tang, Hao; Pesic, Batric Journal of The Electrochemical Society, Vol. 161, Issue 9 https://doi.org/10.1149/2.0371409jes	journal	January 2014
Activity Measurements of Gadolinium(III) Chloride in Molten LiCl-KCl Eutectic Salt Using Saturated Gd/GdCl ₃ Reference Electrode Bagri, Prashant; Simpson, Michael F. Journal of The Electrochemical Society, Vol. 164, Issue 8 https://doi.org/10.1149/2.0441708jes	journal	January 2017
Evaluation of the Electroextractions of Ce and Nd from LiCl-KCl Molten Salt Using Liquid Ga Electrode Liu, Kui; Liu, Ya-Lan; Chai, Zhi-Fang Journal of The Electrochemical Society, Vol. 164, Issue 4 https://doi.org/10.1149/2.0511704jes	journal	January 2017
Direct Calculation of Concentration-Dependent Activity Coefficient of UCl ₃ in Molten LiCl-KCl Zhou, Wentao; Zhang, Jinsuo Journal of The Electrochemical Society, Vol. 162, Issue 10 https://doi.org/10.1149/2.1151509jes	journal	January 2015
Pyroprocessing Flowsheets for Recycling used Nuclear fuel Williamson, M. A.; Willit, J. L. Nuclear Engineering and Technology, Vol. 43, Issue 4 https://doi.org/10.5516/NET.2011.43.4.329	journal	August 2011

Similar Records

Study of Potentiometry for Monitoring Activity of GdCl₃ in Molten LiCl-KCl Salt

Journal Article · 2022 · ECS Advances · OSTI ID:1969138

Cao, Guoping; Herrmann, Steven; Fredrickson, Guy; +1 more

Thermodynamic Assessment of LiCl-KCl-PuCl{sub 3} Ternary System

Journal Article · 2016 · Transactions of the American Nuclear Society · OSTI ID:22991858

Zhou, Wentao; Zhanga, Jinsuo

Thermodynamic modeling of KCl-PrCl₃ and KCl-LiCl-PrCl₃ systems

Journal Article · 2023 · Calphad · OSTI ID:2259214

Sridar, Soumya; Hao, Liangyan; Xiong, Wei

Related Subjects

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS
LiCl-KCl-GdCl3
Materials Science
Nuclear Science & Technology
activity coefficient
apparent potential
phase diagram
solubility

Title: Calculated thermodynamic properties of GdCl3 in LiCl-KCl eutectic molten salt

Citation Formats

References (38)

Similar Records

Related Subjects

Title: Calculated thermodynamic properties of GdCl₃ in LiCl-KCl eutectic molten salt