Deciphering water-solid reactions during hydrothermal corrosion of SiC. (1st May 2021)

• Record Type: Journal Article
• Authors: Xi, Jianqi; Liu, Cheng; Morgan, Dane; Szlufarska, Izabela
• Is Part Of: Acta materialia. Volume 209(2021)
• Publication Date: 2021-05-01
• Subjects: Atomistic modeling -- Corrosion -- Rate-limiting step; Materials -- Periodicals; Materials science -- Periodicals; Materials -- Mechanical properties -- Periodicals; Metallurgy -- Periodicals; Chemistry, Inorganic -- Periodicals; 620.112
• DOI: 10.1016/j.actamat.2021.116803
• Languages: English
• ISSNs: 1359-6454

Abstract

Abstract: Water-solid interfacial reactions are critical to understanding corrosion. More specifically, it is notoriously difficult to determine how water and solid interact beyond the initial chemisorption to induce the surface dissolution. Here, we report atomic-scale mechanisms of the elementary steps during SiC hydrothermal corrosion – from the initial surface attack to surface dissolution. We find that hydrogen scission reactions play a vital role in breaking Si-C bonds, regardless of the surface orientations. Stable silica layer does not form on the surface, but the newly identified chemical reactions on SiC are analogous to those observed during the dissolution of silica. SiC is dissolved directly into the water as soluble silicic acid. The rate of hydrothermal corrosion determined based on the calculated reaction activation energies is consistent with available experimental data. Our work sheds new light on understanding and interpreting the experimental observations and it provides foundation for design of materials that are resistant to corrosion in water. Graphite abstract: Image, graphical abstract