Effect of polyvinylpyrrolidone at methane hydrate-liquid water interface. Application in flow assurance and natural gas hydrate exploitation

Choudhary, Nilesh; Das, Subhadip; Roy, Sudip; Kumar, Rajnish

doi:10.1016/j.fuel.2016.09.004

Cited by 38 publications

(14 citation statements)

References 44 publications

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“…Several known additives can control these processes either thermodynamically or kinetically. For example, additives like methanol and glycol act as a thermodynamic hydrate inhibitor and polyvinylpyrrolidone acts as a kinetic hydrate inhibitor, making them suitable for flow assurance application. , On the other hand, tetrahydrofuran acts as a thermodynamic hydrate promoter and sodium dodecyl sulfate (SDS) acts as a kinetic hydrate promoter. − These kinetic hydrate promoters are utilized for reducing the induction time of hydrate nucleation, enhancing the hydrate growth rate and maximizing the water-to-hydrate conversion efficiency. Therefore, the usage of gas hydrate promoters is beneficial in reducing the operational cost of the gas hydrate formation process.…”

Section: Introductionmentioning

confidence: 99%

Effect of Sodium Dodecyl Sulfate Surfactant on Methane Hydrate Formation: A Molecular Dynamics Study

Choudhary

Hande

Roy³

et al. 2018

J. Phys. Chem. B

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In experimental studies, it has been observed that the presence of sodium dodecyl sulfate (SDS) significantly increases the kinetics of hydrate formation and the final water-to-hydrate conversion ratio. In this study, we intend to understand the molecular mechanism behind the effect of SDS on the formation of methane hydrate through molecular dynamics simulation. Hydrate formation conditions similar to that of laboratory experiments were chosen to study hydrate growth kinetics in 1 wt % SDS solution. We also investigate the effect of interactions with isolated SDS molecules on methane hydrate growth. It was observed that the hydrophobic tail part of the SDS molecule favorably interacts with the growing hydrate surface and may occupy the partial hydrate cages while the head groups remain exposed to water.

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Section: Introductionmentioning

confidence: 99%

Effect of Sodium Dodecyl Sulfate Surfactant on Methane Hydrate Formation: A Molecular Dynamics Study

Choudhary

Hande

Roy³

et al. 2018

J. Phys. Chem. B

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“…27,68,69 Although the mechanisms by which AAs are effective depends on the application of interest, several research and industrial groups focus on the interplay between the design and performance of AAs at the microscopic scale. [70][71][72][73][74][75] Accounting for the interplay between the structural rigidity and the collective effects of new synthetic AAs could allow us to infer their use in practical applications, which addresses current industrial needs.…”

Section: Discussionmentioning

confidence: 99%

Role of structural rigidity and collective behaviour in the molecular design of gas hydrate anti-agglomerants

Sicard

Striolo

2021

Mol. Syst. Des. Eng.

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“…The interaction between water molecules was described by the modified simple point charge extended (SPC/E) potential [19]. It was chosen because it qualitatively describes the kinetics of dissociation [12,23,24]. The modified version was used according to good description of thermodynamics for these phases in our previous studies [43,44].…”

Section: Calculation Detailsmentioning

confidence: 99%

“…Any of these potentials are able to give a qualitative description of the processes of formation and decomposition of gas hydrates. The TIP4P and SPC/E potentials are preferred for gas hydrate dissociation kinetic studying [12,23,24], and the rest of potentials for the studying of hydrate formation [17,25]. A more detailed description can be found in the work [26].…”

Section: Introductionmentioning

confidence: 99%

Transformation of hydrogen bond network during CO2 clathrate hydrate dissociation

Gets

Belosludov

Zhdanov

et al. 2020

Applied Surface Science

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The object of this study is the kinetic process of solid-liquid first-order phase transitionmelting of carbon dioxide CS-I hydrate with various cavity occupation ratios. The work was done within a framework of study on the local structure of water molecules. These include the time depending change of the short-range order at temperatures close to the melting point and comparison with hexagonal ice structure. Using molecular dynamics method, dependencies of the internal energy of the studied systems on the time of heating were found. Jumps in the internal energy of solids in the range at 275-300 K indicate a phase transition. The study of oxygen-oxygen radial distribution and hydrogen-oxygen-oxygen mutual orientation angles between molecules detached at no more than 3.2 Å allowed to find the H-bond coordination number of all molecules and full number of H-bonds and showed the instant (less than 1 ns) reorganization of short-range order of all molecules. The structure analysis of every neighbor water molecules pairs showed the ~10-15% decrease of H-bond number after the melting whereas all molecules form single long-range hydrogen bond network. The analysis of hydrogen bond network showed the minor changes in the H-bond interaction energy at solid-liquid phase transition. KeywordsGas hydrate, phase transition, molecular dynamics, hydrogen bond network, short-range order. Recently, the molecular dynamic (MD) studies of gas hydrate described the dissociation processes by

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Effect of polyvinylpyrrolidone at methane hydrate-liquid water interface. Application in flow assurance and natural gas hydrate exploitation

Cited by 38 publications

References 44 publications

Effect of Sodium Dodecyl Sulfate Surfactant on Methane Hydrate Formation: A Molecular Dynamics Study

Effect of Sodium Dodecyl Sulfate Surfactant on Methane Hydrate Formation: A Molecular Dynamics Study

Role of structural rigidity and collective behaviour in the molecular design of gas hydrate anti-agglomerants

Transformation of hydrogen bond network during CO2 clathrate hydrate dissociation

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