2019
DOI: 10.1002/aic.16681
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The gas‐adsorption mechanism of kinetic hydrate inhibitors

Abstract: Molecular dynamics was employed to study the inhibition mechanism of vinyl lactam‐based kinetic hydrate inhibitors (KHIs). By comparing the inhibition functions of the same KHIs at different initial locations, we found that the KHI molecules on the surface of hydrate nuclei could obviously prolong the hydrate induction time and exhibited the best inhibition effect. The impacts of KHIs on the methane migration and the arrangement of H2O molecules were analyzed at the molecular level. A gas‐adsorbing mechanism f… Show more

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Cited by 26 publications
(27 citation statements)
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“…This is mainly due to the steric hindrance effect of the PVP. To be more specific, as shown in Figure , the oxygen atom on the five-numbered lactam ring of the PVP could form two hydrogen bonds with the hydrogen atoms of the water molecule and thereby absorb on the surface of the hydrate crystal . Consequently, the growth of the hydrate crystal is inhibited.…”
Section: Results and Discussionmentioning
confidence: 99%
See 1 more Smart Citation
“…This is mainly due to the steric hindrance effect of the PVP. To be more specific, as shown in Figure , the oxygen atom on the five-numbered lactam ring of the PVP could form two hydrogen bonds with the hydrogen atoms of the water molecule and thereby absorb on the surface of the hydrate crystal . Consequently, the growth of the hydrate crystal is inhibited.…”
Section: Results and Discussionmentioning
confidence: 99%
“…In recent years, hydrate management using low-dosage hydrate inhibitors (LDHIs) has been widely investigated. As a kind of LDHIs, kinetic hydrate inhibitors (KHIs), which are mainly vinyl lactam polymers containing five-membered or/and seven-membered lactam rings, can work very well in preventing hydrate nucleation and growth by absorbing to the nucleation sites and growth sites of the hydrate crystals . Up to now, the effectiveness of KHIs in hydrate prevention has been verified by many researchers. However, the effectiveness of KHIs in hydrate and wax coexisting systems is seldom investigated.…”
Section: Introductionmentioning
confidence: 99%
“…We conjecture a similar mechanism is at work in this study, where three distinct KHIs (two commercial PVP and PVCap and one natural KHI, Pectin) synergize with a THI (MEG). A few more studies describe a similar inhibition mechanism based on the adsorption capacity of KHIs with gas molecules (to delay nucleation) and hydrate crystals (to slow down growth). The detailed mechanism for synergy is discussed below, as well as visually explained in a schematic provided in Figure .…”
Section: Mechanism Of Synergy Between Khi and Thi (Meg)mentioning
confidence: 99%
“…Chen et al and his group studied the inhibitive mechanism of self-made KHIs using molecular dynamics simulation, as shown in Figure . A superior inhibitive effect was achieved by enhancing the binding interactions between well-organized inhibitors with stretched skeletons and water molecules, strengthening the gas-adsorption ability of the inhibitors, as well as placing the inhibitors at the gas–liquid interface or hydrate surface.…”
Section: Ldhi Research In Chinamentioning
confidence: 99%
“…Typical snapshots of PVP-A (a) in an aqueous solution and (b) on the hydrate nucleus surface. Reproduced from Li et al Copyright (2019) John Wiley and Sons.…”
Section: Ldhi Research In Chinamentioning
confidence: 99%