Effects of C-S-H gel surface structure on sodium chloride evaporation crystallization in C-S-H gel nanopores with molecular dynamics analysis
APPLIED SURFACE SCIENCE(2023)
摘要
•The novel solid–liquid C-S-H gel MD simulation model is reasonable and efficient.•NaCl evaporation crystallization in C-S-H nanopore follows a two-step mechanism.•Higher silicon oxide content on inner surfaces leads to higher negative charge.•C-S-H gel surface structure has an effect on the NaCl crystallization position.
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关键词
C-S-H gel,Surface structure,Molecular dynamics simulation,NaCl crystallization,Nucleation
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