Characteristics and influencing factors of interaction between hydrophobic surface and drag-reducing polymer: A MC and MD simulation study

Computational Materials Science(2023)

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摘要
•The degree of polymerization significantly affects the interaction of PEO with the surface.•Surface type has a bigger impact on water adsorption than polymer type but less than DP.•The interaction between PAM and the surface is strongly influenced by temperature.•The adsorption of PEO on surfaces depends mainly on the chain’s deformation.•For XG-TDI and GG-HDI systems, van der Waals has the most impact on the interaction.
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关键词
hydrophobic surface,polymer,md simulation study,drag-reducing
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