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Title: Application of the Chloride Susceptibility Index to Study the Effects of Ni, Cr, Mn and Mo on the Repassivation of Stainless Steels

Abstract

The effects of Ni, Cr, Mn and Mo on the very earliest stages of repassivation of stainless steels are quantified using the Chloride Susceptibility Index (CSI), which is an ab initio-based index for the evaluation of repassivation tendency. The quinary system of Fe-Ni-Cr-Mn-Mo is studied with density functional theory analysis and an electrochemisorption model developed previously by the authors, which are required to determine the CSI. The adsorption energies of O and Cl to different surface configurations are calculated, and then surface coverage maps of different species on the surface are obtained from the adsorption energies based on the Langmuir isotherm. Finally, CSI is calculated for different compositions of stainless steels. It is found that the effect of alloying elements on promoting repassivation of Fe alloys is in the order of Mn > ≈Ni > Cr > Mo when solute composition is less than 28 wt.%. A strong synergy is found between Cr and Mo such that a combination of these two elements at a certain ratio can give an optimal (low) CSI. Here, the usage of CSI for evaluating repassivation tendency of CRAs is validated by experimental measured repassivation potential, which shows a strong monotonic negative relation with CSI.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [2]
  1. Ohio State University, Columbus, OH (United States)
  2. Ohio State University, Columbus, OH (United States); DNV GL USA Inc. Dublin, OH (United States)
Publication Date:
Research Org.:
The Ohio State Univ., Columbus, OH (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1671633
Grant/Contract Number:  
SC0016584
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the Electrochemical Society (Online)
Additional Journal Information:
Journal Name: Journal of the Electrochemical Society (Online); Journal Volume: 167; Journal Issue: 13; Journal ID: ISSN 1945-7111
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Ke, Huibin, Frankel, Gerald S., and Taylor, Christopher D. Application of the Chloride Susceptibility Index to Study the Effects of Ni, Cr, Mn and Mo on the Repassivation of Stainless Steels. United States: N. p., 2020. Web. doi:10.1149/1945-7111/abbce2.
Ke, Huibin, Frankel, Gerald S., & Taylor, Christopher D. Application of the Chloride Susceptibility Index to Study the Effects of Ni, Cr, Mn and Mo on the Repassivation of Stainless Steels. United States. https://doi.org/10.1149/1945-7111/abbce2
Ke, Huibin, Frankel, Gerald S., and Taylor, Christopher D. Fri . "Application of the Chloride Susceptibility Index to Study the Effects of Ni, Cr, Mn and Mo on the Repassivation of Stainless Steels". United States. https://doi.org/10.1149/1945-7111/abbce2. https://www.osti.gov/servlets/purl/1671633.
@article{osti_1671633,
title = {Application of the Chloride Susceptibility Index to Study the Effects of Ni, Cr, Mn and Mo on the Repassivation of Stainless Steels},
author = {Ke, Huibin and Frankel, Gerald S. and Taylor, Christopher D.},
abstractNote = {The effects of Ni, Cr, Mn and Mo on the very earliest stages of repassivation of stainless steels are quantified using the Chloride Susceptibility Index (CSI), which is an ab initio-based index for the evaluation of repassivation tendency. The quinary system of Fe-Ni-Cr-Mn-Mo is studied with density functional theory analysis and an electrochemisorption model developed previously by the authors, which are required to determine the CSI. The adsorption energies of O and Cl to different surface configurations are calculated, and then surface coverage maps of different species on the surface are obtained from the adsorption energies based on the Langmuir isotherm. Finally, CSI is calculated for different compositions of stainless steels. It is found that the effect of alloying elements on promoting repassivation of Fe alloys is in the order of Mn > ≈Ni > Cr > Mo when solute composition is less than 28 wt.%. A strong synergy is found between Cr and Mo such that a combination of these two elements at a certain ratio can give an optimal (low) CSI. Here, the usage of CSI for evaluating repassivation tendency of CRAs is validated by experimental measured repassivation potential, which shows a strong monotonic negative relation with CSI.},
doi = {10.1149/1945-7111/abbce2},
journal = {Journal of the Electrochemical Society (Online)},
number = 13,
volume = 167,
place = {United States},
year = {2020},
month = {10}
}

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