SONG shuling, YANG Erlong, SHA Mingyu. Influencing factors of occurrence state of shale oil based on molecular simulation[J]. Petroleum Reservoir Evaluation and Development, 2023, (1): 31-38+51. DOI: 10.13809/j.cnki.cn32-1825/te.2023.01.004.
Influencing factors of occurrence state of shale oil based on molecular simulation
The availability of shale oil directly affects the degree of effective exploration and development
and the mobility of shale oil is closely related to its occurrence state. Therefore
studying the occurrence state of shale oil plays an important role in its development. The pore model is established by graphene and quartz
and the occurrence state of n-octane and its mixture in nanopores is studied by molecular simulation method. The effects of pore size
temperature
pressure
shale oil composition
wall wettability and wall composition on the occurrence state are analyzed. The results show that: ①shale oil is multi-layer adsorbed in the pores and symmetrical about the pore center
and the thickness of the adsorption layer is 0.4~0.5 nm; ②The larger the pore size of the reservoir
the higher the temperature
the lower the pressure
the lighter the molecular component
the weaker the polarity
and the higher the wall wettability are
the more unfavorable the adsorption of oil molecules on the wall is;③ In the combined wall
due to the influence of graphene wall
the adsorption amount of shale oil molecules increases with the increase of quartz wall wetting humidity. In addition
the adsorption transfer phenomenon of n-hexanoic acid and cyclohexane also occurs.