Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system

Can Agca; Greta Lindwall; Jake W. McMurray; Jörg C. Neuefeind; Zi Kui Liu; Alexandra Navrotsky

doi:10.1016/j.calphad.2020.101798

Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system

Can Agca, Greta Lindwall, Jake W. McMurray, Jörg C. Neuefeind, Zi Kui Liu, Alexandra Navrotsky

Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

The melting behavior of spinel in the Fe–Al–O system at high temperatures (1500–1800 °C) was studied by a combination of experimental and computational investigations. Differential thermal analysis (DTA) at ultra-high temperatures coupled with cooling traces on CO₂ laser-heated levitated samples provided melting temperatures and the heats of fusion of (Fe,Al)₃O₄ spinel phases. The experimental results are in fair agreement with the predictions using a published CALPHAD description and areas for modeling improvement are identified. New insights into the melting of defect spinel are provided.

Original language	English (US)
Article number	101798
Journal	Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume	70
DOIs	https://doi.org/10.1016/j.calphad.2020.101798
State	Published - Sep 2020

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Computer Science Applications

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title = "Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system",

abstract = "The melting behavior of spinel in the Fe–Al–O system at high temperatures (1500–1800 °C) was studied by a combination of experimental and computational investigations. Differential thermal analysis (DTA) at ultra-high temperatures coupled with cooling traces on CO2 laser-heated levitated samples provided melting temperatures and the heats of fusion of (Fe,Al)3O4 spinel phases. The experimental results are in fair agreement with the predictions using a published CALPHAD description and areas for modeling improvement are identified. New insights into the melting of defect spinel are provided.",

author = "Can Agca and Greta Lindwall and McMurray, {Jake W.} and Neuefeind, {J{\"o}rg C.} and Liu, {Zi Kui} and Alexandra Navrotsky",

note = "Publisher Copyright: {\textcopyright} 2020 Elsevier Ltd",

year = "2020",

month = sep,

doi = "10.1016/j.calphad.2020.101798",

language = "English (US)",

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T1 - Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system

AU - Agca, Can

AU - Lindwall, Greta

AU - McMurray, Jake W.

AU - Neuefeind, Jörg C.

AU - Liu, Zi Kui

AU - Navrotsky, Alexandra

PY - 2020/9

Y1 - 2020/9

N2 - The melting behavior of spinel in the Fe–Al–O system at high temperatures (1500–1800 °C) was studied by a combination of experimental and computational investigations. Differential thermal analysis (DTA) at ultra-high temperatures coupled with cooling traces on CO2 laser-heated levitated samples provided melting temperatures and the heats of fusion of (Fe,Al)3O4 spinel phases. The experimental results are in fair agreement with the predictions using a published CALPHAD description and areas for modeling improvement are identified. New insights into the melting of defect spinel are provided.

AB - The melting behavior of spinel in the Fe–Al–O system at high temperatures (1500–1800 °C) was studied by a combination of experimental and computational investigations. Differential thermal analysis (DTA) at ultra-high temperatures coupled with cooling traces on CO2 laser-heated levitated samples provided melting temperatures and the heats of fusion of (Fe,Al)3O4 spinel phases. The experimental results are in fair agreement with the predictions using a published CALPHAD description and areas for modeling improvement are identified. New insights into the melting of defect spinel are provided.

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M3 - Article

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SN - 0364-5916

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JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

M1 - 101798

ER -

Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system

Abstract

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