Lithologic Reservoirs ›› 2024, Vol. 36 ›› Issue (6): 160-168.doi: 10.12108/yxyqc.20240615

• PETROLEUM EXPLORATION • Previous Articles     Next Articles

Heterogeneity of soluble organic matter in shale and occurrence state of shale oil under nanoconfinement

HONG Zhibin, WU Jia, FANG Peng, YU Jinyang, WU Zhengyu, YU Jiaqi   

  1. College of Geosciences, China University of Petroleum(Beijing), Beijing 102249, China
  • Received:2023-07-07 Revised:2023-09-14 Online:2024-11-01 Published:2024-11-04

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Abstract: Taking the group components of medium-low maturity shale oil in the third member of Paleogene Shahejie Formation in the Bohai Bay Basin as an example，a nano-scale model of shale soluble organic matter system was constructed through molecular dynamic simulation. The molecular occurrence state of shale soluble organic matter system at the nanoscale under geological conditions was investigated. And the limiting factors of shale oil movability were analyzed. The results show that：（1）The shale soluble organic matter system model consists of four group components of saturated hydrocarbons，aromatic hydrocarbons，non-hydrocarbons，asphaltenes and water，with mass fractions of 18.6%，18.9%，19.7%，38.6%，and 4.2%，respectively. The representative mol ecules for each of the four group components are nC18，1-methylphenanthrene，the aromatic bicyclic structure with carboxylate-containing long-side-chain moieties，and C58H65NS，respectively.（2）In the initial state of simu lation，shale soluble organic matter system shows the uniform distribution of the various components with high energy. As the simulation progresses，the heterogeneity of the system increases and the energy decreases. The saturated and aromatic hydrocarbon molecules diffuse more easily，while the non-hydrocarbons and asphaltenes exhibit self-aggregation phenomena，resulting in the generation of a free subsystem dominated by dispersed small molecules（with a total mass fraction of saturated and aromatic hydrocarbons of 42.9%）and an aggregation subsystem dominated by macromolecular aggregates（with a total mass fraction of non-hydrocarbons and as phaltenes of 74.3%）. The free subsystem has a larger total molecular mass，66.7% of the total molecular mass of the original soluble organic matter simulation system，a faster diffusion rate，and a smaller density in the simu lated final state.（3）Molecular mass and polarity are essential factors affecting the mobility of shale oil in the nanoconfinement. Self-aggregation of polar molecules inevitably triggers heterogeneity in the soluble organic matter system，and the inhomogeneous distribution of polar molecular clusters，with adsorption in the nanopore throat space results in the blockage of shale oil transport channels，thus limiting the mobility of shale oil.

Key words: shale oil, heterogeneity, soluble organic matter system, molecular dynamics simulation, nanocon finement, asphaltene aggregates, molecular mass, molecular polarity, occurrence state

CLC Number: 

  • TE122.1
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