Journal
CORROSION SCIENCE
Volume 146, Issue -, Pages 1-9Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.corsci.2018.10.027
Keywords
Ceramic; Molten salts; Modelling studies; High temperature corrosion
Funding
- U.S. Department of Energy, Office of Basic Energy Sciences [DE-FG02-08ER46493]
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Corrosion of Si, C, and SiC in fluoride salt has been studied byab initio molecular dynamics. The standard dissolution potential for Si is found to be smaller (easier to corrode) than that of C. The dissolved Si attracts F- ions and forms SiF62-, whereas the dissolved C species forms neutral CF(4)molecules. A swapping mechanism is identified for the initial corrosion stage, where Si first comes to the surface and then is dissolved, leaving behind chain- and ring-like C structures. A strategy to suppress SiC corrosion is also discussed based on Be doping, including avoiding Be2C formation.
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