Physicochemical Nature of Iron Oxidation in a Damp Atmospheric Condition

doi:10.11890/1006-7191-116-415

Acta Metallurgica Sinica (English Letters) ›› 2011, Vol. 24 ›› Issue (6): 415-422.DOI: 10.11890/1006-7191-116-415

• 研究论文 • 下一篇

Physicochemical Nature of Iron Oxidation in a Damp Atmospheric Condition

Tongyan Pan

The Catholic University of America

收稿日期:2011-05-16 修回日期:2011-08-24 出版日期:2011-12-25 发布日期:2011-12-22
通讯作者: Tongyan Pan

Physicochemical nature of iron oxidation in a damp atmospheric condition

Tongyan PAN¹,Yunping XI²

1. Department of Civil Engineering, School of Engineering, Catholic University of America, 620 Michigan Avenue, N.E., Washington, DC, 20064, USA
2. Department of Civil, Environmental, and Architectural Engineering, College of Engineering and Applied Science, University of Colorado at Boulder, Boulder, CO 80303, USA

Received:2011-05-16 Revised:2011-08-24 Online:2011-12-25 Published:2011-12-22
Contact: Tongyan PAN

摘要/Abstract

摘要： The surface oxidation patterns of iron or low-carbon steels are critical to their life when serving in typical damp environments. An accurate determination of the oxidation pattern entails tracking the iron atoms oxidized at the iron/steel-moisture interface. Using a quantum chemistry-based force field that is capable of simulating chemical reactions, this paper studies the process of iron oxidation under a typical moist condition. The oxidation of iron surface was found to be highly thermodynamic and dependent on the availability of reactants. A triplex structure was formed at the end of a three-stage oxidation process to reduce the overall oxidation speed. The results from this study shed light on the atomistic mechanism of iron oxidation; therefore can be used to guide the protection of general ferrous-based iron/steel structures.

Abstract: The surface oxidation patterns of iron or low-carbon steels are critical to their life when serving in typical damp environments. An accurate determination of the oxidation pattern entails tracking the iron atoms oxidized at the iron/steel-moisture interface. Using a quantum chemistry-based force field that is capable of simulating chemical reactions, this paper studies the process of iron oxidation under a typical moist condition. The oxidation of iron surface was found to be highly thermodynamic and dependent on the availability of reactants. A triplex structure was formed at the end of a three-stage oxidation process to reduce the overall oxidation speed. The results from this study shed light on the atomistic mechanism of iron oxidation; therefore can be used to guide the protection of general ferrous-based iron/steel structures.

Key words: Iron oxidation, Quantum mechanics, Atomistic modeling, Damp atmospheric condition

Tongyan Pan. Physicochemical Nature of Iron Oxidation in a Damp Atmospheric Condition[J]. Acta Metallurgica Sinica (English Letters), 2011, 24(6): 415-422.

Tongyan PAN,Yunping XI. Physicochemical nature of iron oxidation in a damp atmospheric condition[J]. Acta Metallurgica Sinica (English Letters), 2011, 24(6): 415-422.

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Physicochemical Nature of Iron Oxidation in a Damp Atmospheric Condition

Physicochemical nature of iron oxidation in a damp atmospheric condition

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