Abstract
In recent years, heavy metal pollution has become more severe, which threatens human health and ecological environment. Cement-based materials are the most common remediation methods to fix heavy metal pollution. In order to explore the transport of heavy metal ions in cement-based material nanochannels from the molecular scale. In this paper, 11A Tobermorite was used as the initial cement-based material model, and then through a series of adjustments, CSH gel channels were assembled with Zncl2 solution, so as to explore the capillary transport of zinc chloride solution in cement-based material nanopores. The density distribution of water and the number distribution of zinc ions show that the density of water molecules in the nanoporous channel decreases sharply, and the migration of zinc ions in the nanoporous channel is well limited by calcium silicate hydrate.
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