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- W4311446727 endingPage "121008" @default.
- W4311446727 startingPage "121008" @default.
- W4311446727 abstract "Adding kinetic inhibitors (KHIs) is a common method to prevent hydrate from blocking oil and gas pipelines. Considering the pollution of traditional KHIs, several amphiphilic peptides are designed as green KHIs substitutes, and their inhibitory effect and mechanism are studied by molecular simulation. The van der Waals (vdW) interaction between hydrophobic groups and water molecules is the main factor causing different inhibition effects. Hydrophobic groups can enter water cages as guest molecules to immobilize peptides on the hydrate surface. After adding peptides consisting of alanine and lysine (5AK), the growth rate of hydrate slows down by 58.2 % because 5AK has more hydrophobic binding sites. And the addition of threonine can also effectively improve the inhibitory effect of peptide. Before 110 ns, the inhibitory effect of peptides consisting of alanine and threonine (5AT) is even stronger than that of 5AK. The results explain the mechanism of peptide inhibiting hydrate growth, and provide theoretical guidance for the development of new KHIs." @default.
- W4311446727 created "2022-12-26" @default.
- W4311446727 creator A5010576526 @default.
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- W4311446727 creator A5050864862 @default.
- W4311446727 creator A5067331026 @default.
- W4311446727 creator A5073278358 @default.
- W4311446727 date "2023-01-01" @default.
- W4311446727 modified "2023-10-16" @default.
- W4311446727 title "Alanine rich amphiphilic peptides as green substitutes for hydrate inhibitors: A molecular simulation study" @default.
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- W4311446727 doi "https://doi.org/10.1016/j.molliq.2022.121008" @default.
- W4311446727 hasPublicationYear "2023" @default.
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