Experimental investigations and thermodynamic modelling of the ternary system Pb-Mo-O

Andries van Hattem; Robert Dankelman; Eric Colineau; Jean-Christophe Griveau; Kathy Dardenne; Jörg Rothe; Sebastian Couweleers; Rudy J.M. Konings; Anna L. Smith

doi:10.1016/j.jallcom.2024.175588

Experimental investigations and thermodynamic modelling of the ternary system Pb-Mo-O

Andries van Hattem, Robert Dankelman, Eric Colineau, Jean-Christophe Griveau, Kathy Dardenne, Jörg Rothe, Sebastian Couweleers, Rudy J.M. Konings, Anna L. Smith^*

^*Corresponding author for this work

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Abstract

A combined experimental and modelling study into the Pb-Mo-O system has been conducted in view of the safety analysis for lead-cooled nuclear systems. The thermal expansion and low-temperature heat capacity of the ternary compounds PbMoO4 and Pb2MoO5 have been determined experimentally, as well as the melting enthalpy of PbMoO4. Moreover, XANES measurements have confirmed the hexavalent oxidation state of Mo in PbMoO4 and Pb2MoO5.

A thermodynamic model of the ternary system including the ternary phases PbMoO4, Pb2MoO5 and Pb5MoO8 has also been developed in this work based on the CALPHAD methodology. For the first time, an ionic two-sublattice model is used for the liquid phase, while the compound energy formalism is used for the solid phases.

Original language	English
Article number	175588
Number of pages	13
Journal	Journal of Alloys and Compounds
Volume	1003
DOIs	https://doi.org/10.1016/j.jallcom.2024.175588
Publication status	Published - 2024

Keywords

CALPHAD
Lead-cooled Fast Reactor
Molybdates
Pb-Mo-O
Thermodynamic modelling
X-ray Diffraction
XANES

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10.1016/j.jallcom.2024.175588

1-s2.0-S0925838824021753-mainFinal published version, 4.88 MBLicence: CC BY

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title = "Experimental investigations and thermodynamic modelling of the ternary system Pb-Mo-O",

abstract = "A combined experimental and modelling study into the Pb-Mo-O system has been conducted in view of the safety analysis for lead-cooled nuclear systems. The thermal expansion and low-temperature heat capacity of the ternary compounds PbMoO4 and Pb2MoO5 have been determined experimentally, as well as the melting enthalpy of PbMoO4. Moreover, XANES measurements have confirmed the hexavalent oxidation state of Mo in PbMoO4 and Pb2MoO5.A thermodynamic model of the ternary system including the ternary phases PbMoO4, Pb2MoO5 and Pb5MoO8 has also been developed in this work based on the CALPHAD methodology. For the first time, an ionic two-sublattice model is used for the liquid phase, while the compound energy formalism is used for the solid phases.",

keywords = "CALPHAD, Lead-cooled Fast Reactor, Molybdates, Pb-Mo-O, Thermodynamic modelling, X-ray Diffraction, XANES",

author = "{van Hattem}, Andries and Robert Dankelman and Eric Colineau and Jean-Christophe Griveau and Kathy Dardenne and J{\"o}rg Rothe and Sebastian Couweleers and Konings, {Rudy J.M.} and Smith, {Anna L.}",

year = "2024",

doi = "10.1016/j.jallcom.2024.175588",

language = "English",

volume = "1003",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

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T1 - Experimental investigations and thermodynamic modelling of the ternary system Pb-Mo-O

AU - van Hattem, Andries

AU - Dankelman, Robert

AU - Colineau, Eric

AU - Griveau, Jean-Christophe

AU - Dardenne, Kathy

AU - Rothe, Jörg

AU - Couweleers, Sebastian

AU - Konings, Rudy J.M.

AU - Smith, Anna L.

PY - 2024

Y1 - 2024

N2 - A combined experimental and modelling study into the Pb-Mo-O system has been conducted in view of the safety analysis for lead-cooled nuclear systems. The thermal expansion and low-temperature heat capacity of the ternary compounds PbMoO4 and Pb2MoO5 have been determined experimentally, as well as the melting enthalpy of PbMoO4. Moreover, XANES measurements have confirmed the hexavalent oxidation state of Mo in PbMoO4 and Pb2MoO5.A thermodynamic model of the ternary system including the ternary phases PbMoO4, Pb2MoO5 and Pb5MoO8 has also been developed in this work based on the CALPHAD methodology. For the first time, an ionic two-sublattice model is used for the liquid phase, while the compound energy formalism is used for the solid phases.

AB - A combined experimental and modelling study into the Pb-Mo-O system has been conducted in view of the safety analysis for lead-cooled nuclear systems. The thermal expansion and low-temperature heat capacity of the ternary compounds PbMoO4 and Pb2MoO5 have been determined experimentally, as well as the melting enthalpy of PbMoO4. Moreover, XANES measurements have confirmed the hexavalent oxidation state of Mo in PbMoO4 and Pb2MoO5.A thermodynamic model of the ternary system including the ternary phases PbMoO4, Pb2MoO5 and Pb5MoO8 has also been developed in this work based on the CALPHAD methodology. For the first time, an ionic two-sublattice model is used for the liquid phase, while the compound energy formalism is used for the solid phases.

KW - CALPHAD

KW - Lead-cooled Fast Reactor

KW - Molybdates

KW - Pb-Mo-O

KW - Thermodynamic modelling

KW - X-ray Diffraction

KW - XANES

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U2 - 10.1016/j.jallcom.2024.175588

DO - 10.1016/j.jallcom.2024.175588

M3 - Article

AN - SCOPUS:85199324392

SN - 0925-8388

VL - 1003

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

M1 - 175588

ER -

Experimental investigations and thermodynamic modelling of the ternary system Pb-Mo-O

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Keywords

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