摘要：With the gradual advancement of shale gas exploration and development technology, shale gas has replaced conventional oil and gas as the primary energy source. As the main occurrence form of natural gas in shale reservoirs, the adsorption state is always an important research topic for evaluating the gas-bearing property of shale reservoirs and improving shale gas recovery. However, at present, there are few studies on control factors and control mechanisms of adsorbed gas in organic-inorganic slit pores, with several unexplained control factors and mechanisms. Taking Songliao Basin shale as an example, molecular simulations are employed to investigate shale gas adsorption in organic-inorganic slit pores, the graphene and kaolinite rock matrix model is employed, and molecular dynamics simulations, particularly the grand canonical Monte Carlo simulation is studied for pore sizes of 2, 4, and 6 nm, The adsorption behavior of methane on heterogeneous shale surfaces at temperatures of 298, 323, 348, 373, and 398 K and pressures of 0.1, 5, 10, 15, and 20 MPa reveals the microscopic mechanism of shale gas adsorption in organic-inorganic slit pores at a molecular scale. The results show that as temperature and pressure increase simultaneously, methane is more strongly adsorbed on the surface of graphene than kaolinite, the number of methane molecules also gradually decreases, the root mean square of the displacement of methane and different surface forces between atoms exhibit certain regularity, and the adsorption capacity of the system is proportional to the changes in diameter within the system. Van der Waals energy and electrostatic energy in the system also increase gradually with changes in temperature and pressure, and electrostatic energy has a greater influence on the adsorption of the system than van der Waal energy. These findings provide ideas for the adsorption capacity of shale gas in organic-inorganic slit pores and are critical for the accurate evaluation of shale reservoir gas content and improvement of shale gas recovery.

关键字：Shale gas; Molecular simulation; Adsorption characteristics; Monte Carlo

ISSN号：0360-5442

卷、期、页：卷: 278

发表日期：2023-09-01

影响因子：0.000000

期刊分区（SCI为中科院分区）：一区

收录情况：SCI（科学引文索引印刷版）,EI（工程索引）,SCIE（科学引文索引网络版）

发表期刊名称：ENERGY

通讯作者：丛奇,马奎友,施砍园,庞礴,杨晓斌,王玉莹,李冰瑶

第一作者：陈君青,姜福杰,庞雄奇,陈冬霞,庞宏

论文类型：期刊论文

论文概要：陈君青,姜福杰,丛奇,庞雄奇,马奎友,施砍园,庞礴,陈冬霞,庞宏,杨晓斌,王玉莹,李冰瑶，Adsorption characteristics of shale gas in organic-inorganic slit pores，ENERGY，2023，卷: 278

论文题目：Adsorption characteristics of shale gas in organic-inorganic slit pores