油气藏评价与开发 >
2023 , Vol. 13 >Issue 1: 31 - 38
DOI: https://doi.org/10.13809/j.cnki.cn32-1825/te.2023.01.004
基于分子模拟的页岩油赋存状态影响因素研究
收稿日期: 2021-11-13
网络出版日期: 2023-01-30
基金资助
国家自然科学基金“致密油储层孔隙结构跨尺度多源融合及重构”(51774090)
Influencing factors of occurrence state of shale oil based on molecular simulation
Received date: 2021-11-13
Online published: 2023-01-30
页岩油的可动用性直接影响有效勘探开发程度，而页岩油的可流动性与其赋存状态密切相关，因此，研究页岩油的赋存状态对其开发有重要作用。利用石墨烯和石英建立孔隙模型，采用分子模拟方法研究正辛烷及其混合物在纳米孔隙中的赋存状态，并分析了孔隙尺寸、温度、压力、页岩油组分、壁面润湿性和壁面组分对赋存状态的影响。结果表明：①页岩油在孔隙中呈多层吸附且关于孔隙中心对称，吸附层厚度均为0.4~0.5 nm；②储层孔隙尺寸越大、温度越高、压力越低、分子组分越轻、极性越弱、壁面润湿度越高越不利于页岩油分子在壁面吸附；③在组合壁面中，由于石墨烯壁面的影响随石英壁面润湿度增加页岩油分子吸附量越多，此外正己酸和环己烷也出现吸附转移现象。
宋书伶 , 杨二龙 , 沙明宇 . 基于分子模拟的页岩油赋存状态影响因素研究[J]. 油气藏评价与开发, 2023 , 13(1) : 31 -38 . DOI: 10.13809/j.cnki.cn32-1825/te.2023.01.004
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.
Key words： shale oil; molecular dynamics; nanopores; graphene; quartz
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