Nucleation and growth for magnesia inclusion in Fe–O–Mg melt

Xiao, Yuanyou; Lei, Hong; Yang, Bin; Wang, Guocheng; Wang, Qi; Jin, Wei

doi:10.1039/c8ra07728b

Cited by 15 publications

(9 citation statements)

References 42 publications

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“…The details of the relationship among the thermodynamic properties, the atomic harmonic vibrational frequency and temperature can be found in the previous study. 23…”

Section: Dft Calculation Detailsmentioning

confidence: 99%

“…It was reported that there is a close relationship between the thermodynamic properties and the size of deoxidation product particles. 22,23 The products of metal deoxidation reaction in liquid iron in most case could be stable and metastable inclusions. 22,23 Therefore, the difference of thermodynamics for Cadeoxidation in liquid iron may be caused by the size effect of inclusion product.…”

Section: Introductionmentioning

confidence: 99%

“…22,23 The products of metal deoxidation reaction in liquid iron in most case could be stable and metastable inclusions. 22,23 Therefore, the difference of thermodynamics for Cadeoxidation in liquid iron may be caused by the size effect of inclusion product. Nano-calcia is the intermediate product of the crystallization for bulk calcia inclusion during Cadeoxidation process.…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamic insight into the growth of calcia inclusions at the nanoscale: the case of Fe–O–Ca melt

et al. 2019

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“…The details of the relationship among the thermodynamic properties, the atomic harmonic vibrational frequency and temperature can be found in the previous study. 23…”

Section: Dft Calculation Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Thermodynamic insight into the growth of calcia inclusions at the nanoscale: the case of Fe–O–Ca melt

et al. 2019

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“…Why the equilibrium constants obtained by various researchers are different to each other? Some researchers suggested that the thermodynamic properties of inclusions have a close relationship with its size [23][24][25][26][27]. Wasai et al [24] indicated that the interfacial free energy between nano-inclusions and liquid iron increased with the increasing of the inclusion size, and the Gibbs free energy change of deoxidation reaction has a close relationship with the size change of inclusion.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Modelling on Nanoscale Growth of Magnesia Inclusion in Fe-O-Mg Melt

Xiao

Lei

Yang

et al. 2019

Metals

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Nano-magnesia is the intermediate product during the growth of magnesia inclusion in Mg-deoxidized steel. Understanding the thermodynamics on nano-magnesia is important to explore the relationship between magnesia product size and deoxidation reaction in molten steel. In this work, a thermodynamic modeling is developed to study the Mg-deoxidation reaction between nano-magnesia inclusions and liquid iron. The thermodynamic results based on the first principle method show that the Gibbs free energy change for the forming magnesia product decrease gradually with the increasing nano-magnesia size in liquid iron. The published experimental data about Mg-deoxidation equilibria in liquid iron are scattered across the region between the thermodynamic curves of 2 nm magnesia and bulk-magnesia. It is suggested that these scattered experimental data of Mg-deoxidized liquid iron are in different thermodynamic states. Some of these experiments are in equilibrium with bulk-magnesia, while most of these experiments do not reach the equilibrium state between bulk magnesia and liquid iron, but in quasi-equilibria between nano-magnesia and liquid iron. This is the reason that different researchers gave different equilibrium constants. Furthermore, the behavior of the metastable magnesia is one of the most important reasons for the supersaturation ratio or the excess oxygen for MgO formation in liquid iron.

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“…However, most of the researchers are focused on the thermodynamic equilibrium between the bulk-alumina and iron melt, while less known about the thermodynamic properties of nano-alumina in liquid iron. Many previous work proved that the thermodynamic properties of the nano-alumina are different from that of the bulk-alumina, and the thermodynamic difference among the nanoscale inclusions is more obvious with the decreasing size of inclusions [31][32][33][34][35][36][37][38] . It was reported that the interfacial free energy between nano-alumina and liquid iron are decreased with the decreasing of the size of alumina, and the Gibbs free energy change of Al-deoxidation reaction has very close relation with the size change of alumina inclusion 31 .…”

mentioning

confidence: 99%

Thermodynamic insight into the growth of nanoscale inclusion of Al-deoxidation in Fe–O–Al melt

Lei

Xiao

Wang

et al. 2020

Sci Rep

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Products of Al-deoxidation reaction in iron melt are the most common inclusions and play an important effect on steel performance. Understanding the thermodynamics on nano-alumina (or nano-hercynite) is very critical to explore the relationship between Al-deoxidation reaction and products growth in iron melt. In present study, a thermodynamic modeling of nano-alumina inclusions in Fe–O–Al melt has been developed. The thermodynamic results show that the Gibbs free energy changes for the formation of nano-Al2O3 and nano-FeAl2O4 decrease with the increasing size and increase with the increasing temperature. The Gibbs free energy changes for transformation of nano-Al2O3 into bulk-Al2O3 increase with the increasing size and temperature. The thermodynamic curve of nano-alumina (or nano-hercynite) and the equilibrium curve of bulk-alumina (or bulk-hercynite) obtained in this work are agree with the published experimental data of Al-deoxidation equilibria in liquid iron. In addition, the thermodynamic coexisting points about Al2O3 and FeAl2O4 in liquid iron are in a straight line and coincide with the various previous data. It suggested that these scattered experimental data maybe in the different thermodynamic state of Al-deoxidized liquid iron and the reaction products for most of the previous Al-deoxidation experiments are nano-alumina (or nano-hercynite).

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Nucleation and growth for magnesia inclusion in Fe–O–Mg melt

Abstract: The crystallization process of magnesia involves two steps.

Cited by 15 publications

References 42 publications

Thermodynamic insight into the growth of calcia inclusions at the nanoscale: the case of Fe–O–Ca melt

Thermodynamic insight into the growth of calcia inclusions at the nanoscale: the case of Fe–O–Ca melt

Thermodynamic Modelling on Nanoscale Growth of Magnesia Inclusion in Fe-O-Mg Melt

Thermodynamic insight into the growth of nanoscale inclusion of Al-deoxidation in Fe–O–Al melt

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