The occurrence status of shale gas inside a nanochannel
of a shale
reservoir is crucial for shale gas reserve assessment and exploitation.
In this work, adopting molecular dynamics simulations, the methane
occurrence inside a shale nanochannel was investigated under different
formation water saturations. Moreover, employing three common inorganic
minerals including of quartz, calcite, and kaolinite, the influence
of mineral hydrophilicity on methane occurrence was also examined.
The simulations indicate that there are three occurrence statuses
of methane inside nanochannels including a free status located in
the internal nanochannel, an adsorption status on mineral and water
film surfaces, and a dissolution status inside the water phase. Among
them, free-status methane is the dominant contribution to the recoverable
reserve assessment and could be feasibly exploited. Without formation
water, methane gives two occurrence statuses including an adsorption
status on mineral surfaces and a free status. Once the formation water
emerges, it will preferentially adsorb onto the mineral surface to
form a water film. With the increase of formation water saturation,
the proportions of free-status and dissolution-status methanes increase,
while the proportion of adsorption-status methane decreases. In three
mineral nanochannels with hydrophilicity orders of quartz > calcite
> kaolinite, the proportion of adsorption-status methane follows
the
order of kaolinite > calcite > quartz, and free-status methane
gives
the order of kaolinite ≈ quartz > calcite. The underlying
mechanisms
of these occurrence features were discussed at length from the view
of microscopic interactions among mineral surfaces, water, and methane.
Our work presents the methane occurrence structure inside a shale
nanochannel, and the discussion of the three methane occurrence statuses
could provide fundamental data and theoretical guidance for shale
gas reserve assessment and exploitation.