A simulation of methane hydrate formation in nickel chloride solution

Zhang, Hanmei; Li, Chang; Wu, Jingchun; Lan, Xiao-Bing; Liang, Zhikai; Deng, Bin

doi:10.1016/j.fuel.2023.127564

Cited by 5 publications

(2 citation statements)

References 48 publications

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“…29 However, Zhang et al investigated the hydrate formation in the nickel chloride solution and proposed that Cl − ions could act as a kinetic promoter, which were frequently observed in the vicinity of the hydrate crystals. 30 al. demonstrated that the effects of NaCl on hydrate nucleation mainly depended on its concentrations.…”

Section: Introductionmentioning

confidence: 99%

“…Molecular dynamics (MD) simulations can visualize the kinetic behavior of hydrate at the microscopic level. − Liu et al proposed that the thermodynamic inhibitors (NaCl, KCl, and ethylene glycol) exhibited a kinetic inhibition effect on the formation of hydrate . However, Zhang et al investigated the hydrate formation in the nickel chloride solution and proposed that Cl – ions could act as a kinetic promoter, which were frequently observed in the vicinity of the hydrate crystals . Xu et al demonstrated that the effects of NaCl on hydrate nucleation mainly depended on its concentrations .…”

Section: Introductionmentioning

confidence: 99%

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Molecular Insights into the Dual Promotion–Inhibition Effects of NaCl at Various Concentrations on the CO₂ Hydrate Growth: A Molecular Simulation Study

Jia,

Fan,

Wang

et al. 2024

Langmuir

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Hydrate-based CO2 storage in the ocean is considered a potential method for mitigating the greenhouse effect. Numerous studies demonstrated that NaCl exhibited the dual effects of promotion and inhibition in the nucleation and growth processes of CO2 hydrate, whose mechanisms remain unclear. In this study, the effects of NaCl at various concentrations on the CO2 hydrate growth and crystal are investigated. The independent gradient model based on Hirshfeld partition, electrostatic potential, and binding energy is conducted to study the interaction between ions and water molecules. The motion trajectories of ions are observed at the molecular level to reflect the impact of ion motion on hydrate growth. The results show that the influence of NaCl on hydrate growth depends on a delicate balance of dual promotion–inhibition effects. NaCl can combine more water molecules and provide a transport channel of CO2 to promote hydrate growth at low concentrations. Meanwhile, the promoting effects shift toward inhibition with increasing NaCl concentrations. In a word, this paper proposes a novel mechanism for the dual promotion–inhibition effects of NaCl on hydrate growth, which is significant for further research on hydrate-based CO2 storage in the ocean.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular Insights into the Dual Promotion–Inhibition Effects of NaCl at Various Concentrations on the CO₂ Hydrate Growth: A Molecular Simulation Study

Jia,

Fan,

Wang

et al. 2024

Langmuir

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Metastable structure II methane hydrate: A bridge to obtain high methane uptake in the presence of thermodynamic promoter

Yu,

2023

Chemical Engineering Journal

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The effect of anti-agglomerant tween on the thermal and rheological properties of TBAF semi-clathrate hydrate slurry used for cold storage systems

Zhang,

Guo,

Zhou

et al. 2024

Journal of Energy Storage

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A simulation of methane hydrate formation in nickel chloride solution

Cited by 5 publications

References 48 publications

Molecular Insights into the Dual Promotion–Inhibition Effects of NaCl at Various Concentrations on the CO₂ Hydrate Growth: A Molecular Simulation Study

Molecular Insights into the Dual Promotion–Inhibition Effects of NaCl at Various Concentrations on the CO₂ Hydrate Growth: A Molecular Simulation Study

Metastable structure II methane hydrate: A bridge to obtain high methane uptake in the presence of thermodynamic promoter

The effect of anti-agglomerant tween on the thermal and rheological properties of TBAF semi-clathrate hydrate slurry used for cold storage systems

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A simulation of methane hydrate formation in nickel chloride solution

Cited by 5 publications

References 48 publications

Molecular Insights into the Dual Promotion–Inhibition Effects of NaCl at Various Concentrations on the CO2 Hydrate Growth: A Molecular Simulation Study

Molecular Insights into the Dual Promotion–Inhibition Effects of NaCl at Various Concentrations on the CO2 Hydrate Growth: A Molecular Simulation Study

Metastable structure II methane hydrate: A bridge to obtain high methane uptake in the presence of thermodynamic promoter

The effect of anti-agglomerant tween on the thermal and rheological properties of TBAF semi-clathrate hydrate slurry used for cold storage systems

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Product

Resources

About

Molecular Insights into the Dual Promotion–Inhibition Effects of NaCl at Various Concentrations on the CO₂ Hydrate Growth: A Molecular Simulation Study

Molecular Insights into the Dual Promotion–Inhibition Effects of NaCl at Various Concentrations on the CO₂ Hydrate Growth: A Molecular Simulation Study