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- W4307761862 abstract "• The cyclic S 8 molecule lies horizontally on the surface. • The deposition is enhanced by S 8 –S 8 interaction. • The deposited sulfur is hard to be exfoliated from the surface. • The deposited sulfur is apt to slide on the surface with a preferred path. Sulfur deposition threatens the production efficiency and mining safety in the development of high-sulfur natural gas reservoirs, but its occurrence in the pore throats remains unclear. The adsorption and migration mechanism of S 8 molecules on the dolomite surface is studied by means of first-principles calculations and molecular dynamics simulations. The S 8 molecule prefers to lie horizontally on the dolomite (1 0 4) surface, apt to slide, but hard to be exfoliated from the surface. Our calculations address the strong S 8 –surface interaction, which is however ignored in the in-use sulfur deposition models." @default.
- W4307761862 created "2022-11-05" @default.
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- W4307761862 date "2022-11-01" @default.
- W4307761862 modified "2023-09-22" @default.
- W4307761862 title "Deposition mechanism of molecular S8 on the dolomite surface" @default.
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- W4307761862 doi "https://doi.org/10.1016/j.comptc.2022.113930" @default.
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