Molecular mechanisms by which tetrahydrofuran affects CO2 hydrate Growth: Implications for carbon storage

Abstract

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Surface morphology effects on clathrate hydrate wettability

“…Force Fields. Water was characterized by the TIP4P/Ice model [37], which has been used successfully in studying hydrate systems [18,38,39]. Methane, ethane, and n-dodecane were represented by employing the united-atom version of the TraPPE-UA force field [40], which correctly describes the critical properties and the vapor-liquid coexistence of linear alkanes far from the critical point.…”

Correlating Antiagglomerant Performance with Gas Hydrate Cohesion

“…Water molecules were represented by the TIP4P/Ice model, which has been proven to be successful in simulating hydrate nucleation and growth , as well as studying the effectiveness of potential hydrate AAs. , AAs were modeled using the general Amber force field, , often employed to study organic and pharmaceutical molecules containing H, C, N, O, S, P, and halogens . Hydrocarbons ( e.g.…”

“…Gas hydrates are relevant for a variety of sectors, including energy, environment, and sustainability. With the goal of increasing the sustainability of our society, recent research advances have extended the utilization of gas hydrates in various applications, including but not limited to hydrogen and energy storage, − CO 2 capture and sequestration, − water desalination, , gas separation, , refrigeration and transport, etc. Naturally occurring gas hydrates attract considerable attention for their potential role in providing an alternative energy source, although their environmental impacts should be mitigated. , On the other hand, safety in the energy sector is frequently associated with the prevention of hydrate agglomeration in oil/gas pipelines .…”

Molecular Insights into the Effect of Nitrogen Bubbles on the Formation of Tetrahydrofuran Hydrates

“…As THF can form clathrate hydrates by only controlling the temperature under the atmospheric pressure, THF hydrate is one of the most well-investigated clathrate hydrates, which is frequently used as a model for gas hydrates [ 17 , 18 , 19 , 20 ]. Currently, the formation behavior of THF hydrates has been investigated in both experimental [ 17 , 18 , 19 , 20 ] and simulation studies [ 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 ]. There are many factors that may affect hydrate formation, and one of the most important is micro- or nano-bubbles in liquid phase [ 29 , 30 , 31 , 32 , 33 , 34 ].…”