Atomistic insights into the performance of thermodynamic inhibitors in the nucleation of methane hydrate

Molecular behavior of hybrid gas hydrate nucleation: separation of soluble H2S from mixed gas

“…38,52 Fig. 6(a-c) presents the first stable 5 12 cage formed and provides a relatively stable nucleation location for more cages to grow. The nucleation process was attempted several times, and eventually, multiple small cage clusters formed.…”

“…The nucleation process was attempted several times, and eventually, multiple small cage clusters formed. Prior to nucleation, isolated small 5 12 , 5 12 6 2 , and 4 1 5 10 6 2 cages formed and dissociated several times within several nanoseconds. This indicates that hydrate nucleated at multiple locations in the system and cage clusters could independently grow.…”

“…In most of their systems, amorphous hydrate formed with small sI and sII motifs exhibiting short-range orders. The two types of guest molecules preferred to occupy size-fitting cages, methane in 5 12 ,4 1 5 10 6 2 ,5 12 6 2 cages and CO 2 in 4 1 5 10 6 2 ,5 12 6 2 cages. Wu et al 39 reported a mixed methane/tetrahydrofuran system, and the induction time of the CH 4 /THF mixed guest system was found to be significantly shorter than that of pure CH 4 and pure THF systems.…”

“…1,2 The large deposition of natural gas hydrate has attracted considerable attention among researchers to develop efficient methods of exploiting it. 3,4 Additionally, gas hydrate technology has attracted wide interest in crystal growth, [5][6][7] CO 2 capture, [8][9][10][11] flow assurance in oil/gas pipelines, 1,2,12 and separation technology, 11,13,14 etc. Particularly, in the area of flow assurance, 15 gas hydrate growth can block oil/gas pipelines, causing great losses to oil companies.…”

“…Fig. S6: example of typical evolution of the average number of 5 12 and 5 12 6 4 cages in the sI and SII crystal hydrate clusters for (a) 10%, (b) 30%, (c) 70%, (d) 90%, and (f) 100% H 2 S/CH 4 systems. molecules to stabilize the initial hydrate cluster.…”