| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Coatings and Surface Engineering for Environmental Protection II
|
| Presentation Title |
Chloride Susceptibility Index (CSI) : An Ab initio Based Corrosion Resistance Indicator |
| Author(s) |
Huibin Ke, Pin Lu, Christopher Taylor |
| On-Site Speaker (Planned) |
Huibin Ke |
| Abstract Scope |
Many properties have been used to indicate the corrosion resistance of metallic materials. However, there is still no single property that can be used to compare across different alloy system and predict the corrosion resistance of metallic materials. Here, a universal scientifically based quantitative indicator called chloride susceptibility index (CSI) is introduced based on a multi-scale modeling framework. This framework can be applied to study the effect of different factors on corrosion resistance of alloys, including alloy composition, solution pH, Cl- concentration and temperature. Firstly, ab initio modeling is used to study the adsorption energy of O and Cl to alloy surfaces with different solutes. Then, a Langmuir model is used to study the competitive adsorption of Cl vs. O under different conditions, from which CSI will be calculated. Finally, experimental measured repassivation potential is compared with CSI and a strong linear relationship is found between these two. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |