烟道气驱替石英狭缝孔中页岩气的分子模拟

钱英强; 杨雪; 刘晓强; 李美俊; 陈泽琴; 薛英

doi:10.11781/sysydz202303560

烟道气驱替石英狭缝孔中页岩气的分子模拟

doi: 10.11781/sysydz202303560

钱英强^1,,
杨雪¹,
刘晓强²,
李美俊³,
陈泽琴^1, ,,
薛英⁴

1.
成都理工大学材料与化学化工学院, 成都 610059
2.
四川轻化工大学化学与环境工程学院, 四川自贡 643000
3.
中国石油大学(北京) 地球科学学院, 北京 102249
4.
四川大学化学学院, 成都 610064

基金项目:

四川省科技计划项目 2020YJ0342

四川省自然科学基金 2022NSFSC0182

详细信息

作者简介:
钱英强(1998—)，男，硕士生，从事非常规及复杂油气藏分子模拟。E-mail: yqqian@petalmail.com

通讯作者:
陈泽琴(1976—)，女，博士，教授，从事非常规及复杂油气藏分子模拟。E-mail: chenzeqin19@cdut.edu.cn

中图分类号: TE357.7
计量
- 文章访问数: 326
- HTML全文浏览量: 117
- PDF下载量: 31
- 被引次数: 0
出版历程
- 收稿日期: 2022-11-29
- 修回日期: 2023-04-02
- 刊出日期: 2023-05-28

Molecular simulation of the displacement of shale gas in quartz slit by flue gas

1.
College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu, Sichuan 610059, China
2.
College of Chemistry and Environmental Engineering, Sichuan University of Science & Engineering, Zigong, Sichuan 643000, China
3.
College of Geosciences, China University of Petroleum, Beijing 102249, China
4.
College of Chemistry, Sichuan University, Chengdu, Sichuan 610064, China

摘要

摘要: 为了探究石英狭缝孔中烟道气封存联合页岩气采收技术的效率，采用巨正则蒙特卡洛(GCMC)和分子动力学(MD)模拟探讨了地质埋深、地层水含量和烟道气注入比例对烟道气(CO₂/N₂)驱替石英狭缝孔中页岩气(CH₄)效率的影响。通过系统分析各组分的密度分布、负载量、吸附热和相互作用能，确定了各组分的吸附机理和CH₄的采收率。混合组分中CH₄和N₂的负载量(Γ_CH₄和Γ_N₂)与地层水含量呈负相关。随着地质埋深的增大，Γ_CH₄和Γ_N₂迅速增大，在埋深达到2 400 m后趋于平缓。CO₂的负载量(Γ_CO₂)在埋深2 400 m出现最大值；在埋深小于2 400 m时，Γ_CO₂与地层水含量呈正相关；埋深大于2 400 m后，Γ_CO₂与地层水含量呈负相关。CH₄的采收率在埋深400~600 m处出现最大值，并随烟道气中CO₂摩尔分数的增大而增大，表明烟道气中的CO₂对CH₄有较强的驱替能力。
- 页岩气 /
- 烟道气 /
- 竞争吸附 /
- 采收率 /
- 石英 /
- 分子模拟
Abstract: To study the efficiency of flue gas sequestration with enhanced shale gas recovery in quartz slit, Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations were adopted to investigate the influence of burial depth, formation water content and the injection ratio of flue gas on the recovery efficiency of shale gas (CH₄) in quartz slit by flue gas (CO₂/N₂). The density distribution, loading, adsorption heat and interaction energy of each component were systematically analyzed to reveal their adsorption mechanisms and the recovery efficiency of CH₄. It indicates that the loadings of mixed CH₄ and N₂ (Γ_CH₄ and Γ_N₂) exhibit negative correlation with formation water content. With the increasing burial depth, both Γ_CH₄ and Γ_N₂ increase at first and then tend to be constant when the burial depth is over 2 400 m. The maximum loading of CO₂ (Γ_CO₂) occurs at the burial depth of 2 400 m. There is a positive correlation of Γ_CO₂ with formation water content when the burial depth is below 2 400 m, and a negative correlation when the burial depth is over 2 400 m. The recovery efficiency of CH₄ (η) reaches the maximum point at the burial depth of 400-600 m, which increases with the increasing mole fraction of CO₂ in flue gas, showing that CO₂ in flue gas can promote the displacement of CH₄ significantly.
- shale gas /
- flue gas /
- competitive adsorption /
- recovery efficiency /
- quartz /
- molecular simulation

HTML全文

图 1 石英狭缝中混合组分CH₄、CO₂和N₂的密度随地质埋深(a)和CO₂的摩尔分数(b)变化规律

Figure 1. Density distributions of mixed CH₄, CO₂ and N₂ in quartz slit varying with burial depth (a) and mole fraction of CO₂ (b)

下载: 全尺寸图片幻灯片

图 2 石英狭缝中混合组分CH₄(a)、CO₂ (b)和N₂ (c)的负载量随地质埋深、地层水含量和烟道气注入比例的变化规律

Figure 2. Loadings of mixed CH₄ (a), CO₂ (b) and N₂ (c) in quartz slit varying with burial depth, formation water content and injected flue gas ratio

下载: 全尺寸图片幻灯片

图 3 石英狭缝中混合组分CH₄、CO₂和N₂的吸附热(Q_st)随地质埋深和地层水含量的变化规律

Figure 3. Adsorption heats (Q_st) of mixed CH₄, CO₂ and N₂ in quartz slit varying with burial depth and formation water content

下载: 全尺寸图片幻灯片

图 4 石英狭缝中混合组分CH₄、CO₂和N₂与孔壁的相互作用能(E)随地质埋深的变化规律

Figure 4. Interaction energies (E) of mixed CH₄, CO₂ and N₂ in quartz slit with wall varying with burial depth

下载: 全尺寸图片幻灯片

图 5 CH₄的采收率(η)随CO₂的摩尔分数(a)和地层水含量(b)的变化规律

Figure 5. Recovery efficiencies (η) of CH₄ varying with CO₂ mole fraction (a) and formation water content (b)

下载: 全尺寸图片幻灯片

表 1 渤海湾盆地东北海区不同地质埋深(B_d)对应的温度(T)和压力(P)^[21]

Table 1. Temperatures and pressures at different burial depths in the northeast sea area of Bohai Bay Basin

B_d/m	T/K	P/MPa	B_d/m	T/K	P/MPa	B_d/m	T/K	P/MPa
200	297.75	2.00	2 200	349.75	22.00	4 200	393.99	42.00
400	306.55	4.00	2 400	352.95	24.00	4 400	398.15	44.00
600	314.55	6.00	2 600	357.83	26.00	4 600	402.23	46.00
800	321.75	8.00	2 800	362.63	28.00	4 800	406.23	48.00
1 000	328.15	10.00	3 000	367.35	30.00	5 000	410.15	50.00
1 200	333.75	12.00	3 200	371.99	32.00	5 200	415.03	52.00
1 400	338.55	14.00	3 400	376.55	34.00	5 400	419.37	54.00
1 600	342.55	16.00	3 600	381.03	36.00	5 600	424.23	56.00
1 800	345.75	18.00	3 800	385.43	38.00	5 800	428.51	58.00
2 000	348.15	20.00	4 000	389.75	40.00	6 000	433.35	60.00

下载: 导出CSV

参考文献(22)

[1]	王祥, 刘玉华, 张敏, 等. 页岩气形成条件及成藏影响因素研究[J]. 天然气地球科学, 2010, 21(2): 350-356. https://www.cnki.com.cn/Article/CJFDTOTAL-TDKX201002028.htm WANG Xiang, LIU Yuhua, ZHANG Min, et al. Conditions of formation and accumulation for shale gas[J]. Natural Gas Geoscience, 2010, 21(2): 350-356. https://www.cnki.com.cn/Article/CJFDTOTAL-TDKX201002028.htm
[2]	邹才能, 董大忠, 王玉满, 等. 中国页岩气特征、挑战及前景(二)[J]. 石油勘探与开发, 2016, 43(2): 166-178. https://www.cnki.com.cn/Article/CJFDTOTAL-SKYK201602003.htm ZOU Caineng, DONG Dazhong, WANG Yuman, et al. Shale gas in China: characteristics, challenges and prospects (Ⅱ)[J]. Petroleum Exploration and Development, 2016, 43(2): 166-178. https://www.cnki.com.cn/Article/CJFDTOTAL-SKYK201602003.htm
[3]	兰叶芳, 吴海枝, 任传建, 等. 黔西北燕子口地区五峰组—龙马溪组泥页岩储层特征[J]. 油气地质与采收率, 2021, 28(1): 115-124. https://www.cnki.com.cn/Article/CJFDTOTAL-YQCS202101015.htm LAN Yefang, WU Haizhi, REN Chuanjian, et al. Shale reservoir characteristics of Wufeng-Longmaxi Formation in Yanzikou area, northwestern Guizhou[J]. . Petroleum Geology and Recovery Efficiency, 2021, 28(1): 115-124. https://www.cnki.com.cn/Article/CJFDTOTAL-YQCS202101015.htm
[4]	姜涛, 金之钧, 刘光祥, 等. 四川盆地元坝地区自流井组页岩储层孔隙结构特征[J]. 石油与天然气地质, 2021, 42(4): 909-918. https://www.cnki.com.cn/Article/CJFDTOTAL-SYYT202104013.htm JIANG Tao, JIN Zhijun, LIU Guangxiang, et al. Pore structure characteristics of shale reservoirs in the Ziliujing Formation in Yuanba area, Sichuan Basin[J]. Oil & Gas Geology, 2021, 42(4): 909-918. https://www.cnki.com.cn/Article/CJFDTOTAL-SYYT202104013.htm
[5]	唐相路, 姜振学, 邵泽宇, 等. 第四系弱成岩泥页岩孔隙结构及物性特征[J]. 石油实验地质, 2022, 44(2): 210-218. doi: 10.11781/sysydz202202210 TANG Xianglu, JIANG Zhenxue, SHAO Zeyu, et al. Pore structure and physical properties of Quaternary weak diagenetic shales[J]. Petroleum Geology & Experiment, 2022, 44(2): 210-218. doi: 10.11781/sysydz202202210
[6]	付小平, 杨滔. 川东北地区下侏罗统自流井组陆相页岩储层孔隙结构特征[J]. 石油实验地质, 2021, 43(4): 589-598. doi: 10.11781/sysydz202104589 FU Xiaoping, YANG Tao. Pore structure of continental shale reservoirs in Lower Jurassic Ziliujing Formation, northeastern Sichuan Basin[J]. Petroleum Geology & Experiment, 2021, 43(4): 589-598. doi: 10.11781/sysydz202104589
[7]	孙川翔, 聂海宽, 刘光祥, 等. 石英矿物类型及其对页岩气富集开采的控制: 以四川盆地及其周缘五峰组—龙马溪组为例[J]. 地球科学, 2019, 44(11): 3692-3704. https://www.cnki.com.cn/Article/CJFDTOTAL-DQKX201911009.htm SUN Chuanxiang, NIE Haikuan, LIU Guangxiang, et al. Quartz type and its control on shale gas enrichment and production: a case study of the Wufeng-Longmaxi formations in the Sichuan Basin and its surrounding areas, China[J]. Earth Science, 2019, 44(11): 3692-3704. https://www.cnki.com.cn/Article/CJFDTOTAL-DQKX201911009.htm
[8]	MIDDLETON R S, CAREY J W, CURRIER R P, et al. Shale gas and non-aqueous fracturing fluids: opportunities and challenges for supercritical CO₂[J]. Applied Energy, 2015, 147: 500-509. http://www.ingentaconnect.com/content/el/03062619/2015/00000147/00000001/art00043
[9]	JING Yu, WEI Li, WANG Yundong, et al. Molecular simulation of MCM-41: structural properties and adsorption of CO₂, N₂ and flue gas[J]. Chemical Engineering Journal, 2013, 220: 264-275. http://www.researchgate.net/profile/Yu_Jing8/publication/257566811_Molecular_simulation_of_MCM-41_Structural_properties_and_adsorption_of_CO2_N2_and_flue_gas/links/546c46ca0cf20dedafd541ea
[10]	LIANG Lixi, LUO Danxu, LIU Xiangjun, et al. Experimental study on the wettability and adsorption characteristics of Longmaxi Formation shale in the Sichuan Basin, China[J]. Journal of Natural Gas Science and Engineering, 2016, 33: 1107-1118. http://www.onacademic.com/detail/journal_1000038901674410_df8c.html
[11]	JI Liming, ZHANG Tongwei, MILLIKEN K L, et al. Experimental investigation of main controls to methane adsorption in clay-rich rocks[J]. Applied Geochemistry, 2012, 27(12): 2533-2545. http://www.sciencedirect.com/science/article/pii/S088329271200251X
[12]	CHEN Lei, JIANG Zhenxue, JIANG Shu, et al. Effect of pre-adsorbed water on methane adsorption capacity in shale-gas systems[J]. Frontiers in Earth Science, 2021, 9: 757705. http://ui.adsabs.harvard.edu/abs/2021FrEaS...9..958C/abstract
[13]	TABRIZY V A, HAMOUDA A A, SOUBEYRAND-LENOIR E, et al. CO₂ adsorption isotherm on modified calcite, quartz, and kaolinite surfaces: surface energy analysis[J]. Petroleum Science and Technology, 2013, 31(15): 1532-1543. doi: 10.1080/10916466.2011.586962
[14]	SUN Haoyang, SUN Wenchao, ZHAO Hui, et al. Adsorption properties of CH₄ and CO₂ in quartz nanopores studied by molecular simulation[J]. RSC Advances, 2016, 6(39): 32770-32778. http://www.onacademic.com/detail/journal_1000038733575210_57a3.html
[15]	XIONG Jian, LIU Kai, LIU Xiangjun, et al. Molecular simulation of methane adsorption in slit-like quartz pores[J]. RSC Advances, 2016, 6(112): 110808-110819. http://pubs.rsc.org/en/content/articlepdf/2016/ra/c6ra22803h
[16]	YUE Fen, CHEN Zeqin, LIU Xiaoqiang, et al. CO₂ mineralization and CH₄ effective recovery in orthoclase slit by molecular simulation[J]. Chemical Engineering Journal, 2022, 430: 133056. http://www.sciencedirect.com/science/article/pii/S1385894721046325
[17]	CARCHINI G, HUSSEIN I, AL-MARRI M J, et al. A theoretical study of gas adsorption on α-quartz (001) for CO₂ enhanced natural gas recovery[J]. Applied Surface Science, 2020, 525: 146472.
[18]	PAN Lei, XIAO Xianming, TIAN Hui, et al. Geological models of gas in place of the Longmaxi shale in southeast Chongqing, South China[J]. Marine and Petroleum Geology, 2016, 73: 433-444. http://210.77.95.253:8080/bitstream/344008/33457/1/16166.pdf
[19]	方镕慧, 刘晓强, 张聪, 等. 温度压力耦合作用下的页岩气吸附分子模拟: 以鄂西地区下寒武统为例[J]. 天然气地球科学, 2022, 33(1): 138-152. https://www.cnki.com.cn/Article/CJFDTOTAL-TDKX202201012.htm FANG Ronghui, LIU Xiaoqiang, ZHANG Cong, et al. Molecular simulation of shale gas adsorption under temperature and pressure coupling: case study of the Lower Cambrian in western Hubei Province[J]. Natural Gas Geoscience, 2022, 33(1): 138-152. https://www.cnki.com.cn/Article/CJFDTOTAL-TDKX202201012.htm
[20]	YANG Xue, CHEN Zeqin, LIU Xiaoqiang, et al. Correction of gas adsorption capacity in quartz nanoslit and its application in recovering shale gas resources by CO₂ injection: a molecular simulation[J]. Energy, 2022, 240: 122789.
[21]	QIU Nansheng, ZUO Yinhui, ZHOU Xinhuai, et al. Geothermal regime of the Bohai offshore area, Bohai Bay Basin, North China[J]. Energy Exploration & Exploitation, 2010, 28(5): 327-350.
[22]	WU Siyuan, JIN Zhixin, DENG Cunbao. Molecular simulation of coal-fired plant flue gas competitive adsorption and diffusion on coal[J]. Fuel, 2019, 239: 87-96. http://www.sciencedirect.com/science/article/pii/S0016236118318945