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Interfacial Gas Enrichment at Hydrophobic Surfaces and the Origin of Promotion of Gas Hydrate Formation by Hydrophobic Solid Particles
Ist Teil von
Journal of physical chemistry. C, 2017-02, Vol.121 (7), p.3830-3840
Ort / Verlag
American Chemical Society
Erscheinungsjahr
2017
Link zum Volltext
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
Hydrophobic solid surfaces have been found to promote the formation of gas hydrates effectively and thus help to realize the immense potential applications of hydrates in many sectors such as energy supply, gas storage and transportation, gas separation, and CO2 sequestration. Despite the well-known effectiveness, the molecular mechanism behind the promotion effect has not been thoroughly understood. In this work, we used both simulation and experimental means to gain insights into the microscopic level of the influence of hydrophobic solid surfaces on gas hydrate formation. On one hand, our simulation results show the presence of an interfacial gas enrichment (IGE) at hydrophobic surface and a gas depletion layer at hydrophilic surface. In the meantime, the analysis of water structure near the hydrophobic solid interface based on the molecular trajectories also shows that water molecules tend to get locally structured near a hydrophobic surface while becoming depressed near a hydrophilic surface. On the other hand, the experimental results demonstrate the preferential formation of gas hydrate on a hydrophobic surface. The synergic combination of simulation and experimental results points out that the existence of an IGE at hydrophobic solid surface plays a key role in promoting gas hydrate formation. This work advances the molecular level understanding of the role of hydrophobicity in governing the gas hydrate as well as interfacial phenomena in general.