Effect of Fe content on corrosion behavior of heat-resistance alloys in high-temperature supercritical carbon dioxide

Yiyao Kang; Weiwei Liu; Xiaoya Wang; Zeyun Cai; Jin Li; Xuesong Leng; Hongsheng Chen

doi:10.1016/j.apsusc.2025.162821

Effect of Fe content on corrosion behavior of heat-resistance alloys in high-temperature supercritical carbon dioxide

Yiyao Kang
, Weiwei Liu
, Xiaoya Wang
, Zeyun Cai
, Jin Li
, Xuesong Leng
, Hongsheng Chen^*

^*Corresponding author for this work

Harbin Institute of Technology Shenzhen
Nuclear Power Institute of China

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

5 Scopus citations

Abstract

The corrosion behavior of heat-resistant alloys with different Fe contents in high-temperature supercritical CO₂ was investigated by simulation and experiment. Results shown that CO₂ molecules preferentially reacted with Cr to form Cr₂O₃. Cr₂O₃ layers were formed on all heat-resistant alloys. A middle Fe₃O₄ layer was formed in the Cr₂O₃ layers and Cr₂₃C₆ carbides were generated in the sub-layer matrix of Fe-containing alloys. The weight gains of alloys gradually increased with Fe content. The formation of Fe₃O₄ in the middle of Cr₂O₃ layer led to greater weight gain compared to Fe-free alloy. Fe-free alloy exhibited higher resistance to oxidation and carburization.

Original language	English
Article number	162821
Journal	Applied Surface Science
Volume	693
DOIs	https://doi.org/10.1016/j.apsusc.2025.162821
State	Published - 1 Jun 2025
Externally published	Yes

Keywords

First principles adsorption
Heat-resistance alloy
Molecular dynamics
Oxidation and carburization
Supercritical carbon dioxide

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10.1016/j.apsusc.2025.162821

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@article{d086e2ba720e463585a55a5c24a1631c,

title = "Effect of Fe content on corrosion behavior of heat-resistance alloys in high-temperature supercritical carbon dioxide",

abstract = "The corrosion behavior of heat-resistant alloys with different Fe contents in high-temperature supercritical CO2 was investigated by simulation and experiment. Results shown that CO2 molecules preferentially reacted with Cr to form Cr2O3. Cr2O3 layers were formed on all heat-resistant alloys. A middle Fe3O4 layer was formed in the Cr2O3 layers and Cr23C6 carbides were generated in the sub-layer matrix of Fe-containing alloys. The weight gains of alloys gradually increased with Fe content. The formation of Fe3O4 in the middle of Cr2O3 layer led to greater weight gain compared to Fe-free alloy. Fe-free alloy exhibited higher resistance to oxidation and carburization.",

keywords = "First principles adsorption, Heat-resistance alloy, Molecular dynamics, Oxidation and carburization, Supercritical carbon dioxide",

author = "Yiyao Kang and Weiwei Liu and Xiaoya Wang and Zeyun Cai and Jin Li and Xuesong Leng and Hongsheng Chen",

note = "Publisher Copyright: {\textcopyright} 2025 Elsevier B.V.",

year = "2025",

month = jun,

day = "1",

doi = "10.1016/j.apsusc.2025.162821",

language = "英语",

volume = "693",

journal = "Applied Surface Science",

issn = "0169-4332",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Effect of Fe content on corrosion behavior of heat-resistance alloys in high-temperature supercritical carbon dioxide

AU - Kang, Yiyao

AU - Liu, Weiwei

AU - Wang, Xiaoya

AU - Cai, Zeyun

AU - Li, Jin

AU - Leng, Xuesong

AU - Chen, Hongsheng

PY - 2025/6/1

Y1 - 2025/6/1

N2 - The corrosion behavior of heat-resistant alloys with different Fe contents in high-temperature supercritical CO2 was investigated by simulation and experiment. Results shown that CO2 molecules preferentially reacted with Cr to form Cr2O3. Cr2O3 layers were formed on all heat-resistant alloys. A middle Fe3O4 layer was formed in the Cr2O3 layers and Cr23C6 carbides were generated in the sub-layer matrix of Fe-containing alloys. The weight gains of alloys gradually increased with Fe content. The formation of Fe3O4 in the middle of Cr2O3 layer led to greater weight gain compared to Fe-free alloy. Fe-free alloy exhibited higher resistance to oxidation and carburization.

AB - The corrosion behavior of heat-resistant alloys with different Fe contents in high-temperature supercritical CO2 was investigated by simulation and experiment. Results shown that CO2 molecules preferentially reacted with Cr to form Cr2O3. Cr2O3 layers were formed on all heat-resistant alloys. A middle Fe3O4 layer was formed in the Cr2O3 layers and Cr23C6 carbides were generated in the sub-layer matrix of Fe-containing alloys. The weight gains of alloys gradually increased with Fe content. The formation of Fe3O4 in the middle of Cr2O3 layer led to greater weight gain compared to Fe-free alloy. Fe-free alloy exhibited higher resistance to oxidation and carburization.

KW - First principles adsorption

KW - Heat-resistance alloy

KW - Molecular dynamics

KW - Oxidation and carburization

KW - Supercritical carbon dioxide

UR - https://www.scopus.com/pages/publications/85219031530

U2 - 10.1016/j.apsusc.2025.162821

DO - 10.1016/j.apsusc.2025.162821

M3 - 文章

AN - SCOPUS:85219031530

SN - 0169-4332

VL - 693

JO - Applied Surface Science

JF - Applied Surface Science

M1 - 162821

ER -

Effect of Fe content on corrosion behavior of heat-resistance alloys in high-temperature supercritical carbon dioxide

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Keywords

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