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

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

Abstract

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

References

[1] D.L. Graver, Corrosion Data Survey-Metals Section, 6th Ed (NACE International, Houston, USA, 1985) p.1.

[2] C.C. Technologies, U.S. Federal Highway Administration (FHWA) (Publication No.FHWA-RD-01-156, 2002) p.22.

[3] H.G. Russell, NCHRP Synthesis 333 (Transportation Research Board, Washington, D.C., 2004) p.16.

[4] T.W. Neal, Jr, NCHRP Synthesis 257 (Transportation Research Board, Washington, D.C., 1998) p.32.

[5] R.J. Connor, R. Dexter and H. Mahmoud, NCHRP Synthesis 354 (Transportation Research Board, Washington, D.C., 2005)p.12.

[6] W.H. Hartt, R.G. Powers, V. Leroux and D.K. Lysogorski, U.S. Federal Highway Administration (FHWA) (Publication No:FHWA-HRT-4-093, 2004) p.34.

[7] D.A. Jones, Principles and Prevention of Corrosion,2nd Ed (Prentice Hall, Upper Saddle River NJ, 1996) p.26.

[8] L.L. Shreir, R.A. Jarman and G.T. Burstein, Corrosion (Butterworth-Heinemann, Oxford, Boston, 1994) p.21.

[9] J. Kruger, Int Mater Rev 33 (1988) 8.

[10] S. Nesic, Corros Sci 49 (2007) 4308.

[11] C. Noubactep, Water SA 36(5) (2010) 663.

[12] P.G. Tratneyk, Putting Corrosion to Use: Remediating Contaminated Groundwater with Zero- valent Metals (Chem. Ind.,1996).

[13] T. Pan, T. Nguyen and X. Shi, Journal of the Transportation Research Board-Transportation Research Record (TRR):No.2044 (National Research Council, Washington, D.C., 2008).

[14] T. Pan, L. Wang, ASCE Journal of Engineering Mechanics 137(5) (2011).

[15] R.G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).

[16] A.C.T. van Duin, S. Dasgupta, F. Lorant and W.A. Goddard, J Phys Chem A 105 (2001) 9396.

[17] M. Aryanpour, A.C.T. van Duin and J.D. Kubicki, J Phys Chem A 114 (2010) 6298.

[18] W.J. Mortier, S.K. Ghosh and S. Shankar, J Am Chem Soc 108 (1986) 4315.

[19] G.O.A. Janssens, B.G. Baekelandt, H. Toufar, W.J. Mortier and R.A. Schoonheydt, J Phys Chem A99 (1995) 3251.

[20] S.L. Njo, J. Fan and B. van de Graaf, J Mol Catal A 134 (1998) 79.

[21] L.G. Parratt, Phys Rev 95 (1954) 359.

Physicochemical nature of iron oxidation in a damp atmospheric condition

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 1

Recommended Articles

Metrics

Comments