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
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- 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)

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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

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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

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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

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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)

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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

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