Molecular Dynamics Simulation of Nanoconfined Methane Flow Through Realistic Organic Shale Matrix
- Zheng Sun (China University of Petroleum at Beijing, Texas A&M University) | Ke Wang (Southwest Petroleum University) | Zhaopeng Yang (PetroChina Research Institute of Petroleum Exploration&Development) | Kang Tang (China University of Petroleum at Beijing) | Hao Xiong (The University of Oklahoma) | Liang Huang (University of California, Berkeley) | Yanan Miao (Shandong University of Science and Technology) | Zhiqiang Wang (CNPC Chuanqing Drilling Engineering Co., Ltd) | Xin Zhang (CNPC Liaohe Petroleum Engineering Co., LTd) | Xiangfang Li (China University of Petroleum at Beijing)
- Document ID
- Unconventional Resources Technology Conference
- SPE/AAPG/SEG Asia Pacific Unconventional Resources Technology Conference, 18-19 November, Brisbane, Australia
- Publication Date
- Document Type
- Conference Paper
- 2019, Unconventional Resources Technology Conference (URTeC)
- Kerogen molecules, Methane flow behavior, Molecular dynamics simulation, Pressure driven flow, Circular pore geometry
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- 78 since 2007
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Academic investigations digging into the methane flow mechanisms at the nanoscale have been of high interests in the past decade. On one hand, the prosperity of shale gas/oil industry is supposed to take the responsibility at a certain degree. On the other hand, the complex essence and broad theoretical as well as application value possess great attraction. In this research work, utilizing the molecular dynamics methods nested in LAMMPS softwares, a fundamental framework is established to mimic the nanoconfined fluid flow through realistic organic shale matrix, i.e., composed of specific number of kerogen molecules. Back to the previous literatures related to the technical aspect in this paper, some adopted the graphit material to characterize the organic matter of shale matrix, rather than realistic kerogen molecules. Recently, promotion efforts have been implemented in the academic community with the use of kerogen molecules, the gas flow simulations are still lacking and also the pore shape in current papers is always hypothesized as slit pores. The assumption is regarded as the serious conflicts with the general observation phenomenon according to the advanced laboratory experiments, such as SEM image, AFM technology, and so on, that the organic pores in shale matrix tend to have circular pore geometry. In order to make things right and fill up the knowledge gap between simulation results against realistic cases, the circular nanopore with desirable pore size is constructed with surrounding kerogen molecules, expecting to be more physically and theoretically similar to the realistic organic 2 matter of shale matrix. Then, methane flow simulation is performed by utilization of non-equibrium molecular dynamics (NEMD), the density and velocity distribution under different pressure differences are presented. Furthermore, detailed discussion with respect to the simulation results is given. It suggests that pressure difference acts as a dominant role affecting methane flow velocity, while fails to influence the density distribution, which is considered to be mainly controlled by the strong molecular-wall interactions. In light of the fact that the simulation work is the first attempt for methane flow through circular nanopores inside realistic shale organic matrix, which can provide more accurate evaluation report with regard to the flow behavior and capacity of methane than that of existed documents.
|File Size||931 KB||Number of Pages||10|
Cao, J., Liang, Y., Masuda, Y., Koga, H., Tanaka, H., Tamura, K., Takagi, S. and Matsuoka, T., 2019, March. Molecular Simulation of Methane Adsorption Behavior in Kerogen Nanopores for Shale Gas Resource Assessment. In International Petroleum Technology Conference. International Petroleum Technology Conference.
Feng, D., Li, X., Li, J., Zhang, K., Miao, Y., Shi, J., Sun, Z., Zhang, T., Li, P. and Liu, D., 2016, August. Investigation of Gas-Water Distribution Characteristics in Kerogen Pores: A View of Intermolecular Surface Force. In Unconventional Resources Technology Conference, San Antonio, Texas, 1-3 August 2016 (pp. 2580-2596). Society of Exploration Geophysicists, American Association of Petroleum Geologists, Society of Petroleum Engineers.