Molecular dynamics simulation of the formation of methane hydrates in the presence of KHIs
Abstract
Poly(N-vinylpyrrolidone) (PVP) and PVP-A were selected as typical kinetic hydrate inhibitors (KHIs) to simulate the inhibition processes of methane hydrate formation, where PVP-A is obtained by introducing butyl ester groups into the PVP molecule. The results show that KHIs do not significantly delay the formation of the first complete hydrate cage, but inhibit the nucleation of methane hydrate by retarding the formation and growth of the labile...
Paper Details
Title
Molecular dynamics simulation of the formation of methane hydrates in the presence of KHIs
Published Date
Jun 1, 2021
Journal
Volume
236
Pages
116508 - 116508
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