基于分子动力学模拟的天然气藏纳米孔隙水封气微观成因及演化规律研究————以塔里木盆地克深8区块为例

doi:10.3969/j.issn.2096-1693.2026.01.029

石油科学通报 ›› 2026, Vol. 11 ›› Issue (4): 1244-1263. doi: 10.3969/j.issn.2096-1693.2026.01.029

基于分子动力学模拟的天然气藏纳米孔隙水封气微观成因及演化规律研究————以塔里木盆地克深8区块为例

唐永亮¹^,²(), 王佳睿², 赵冀¹, 范秋海¹, 朱松柏¹, 刘恩豪¹, 张现军¹, 董晨¹, 徐侦耀², 潘子晴², 章凯强²^,^*()

¹ 中国石油天然气股份有限公司塔里木油田分公司，库尔勒 841000
² 北京大学能源研究院，北京 100871

收稿日期:2026-02-25 修回日期:2026-06-03 出版日期:2026-08-15 发布日期:2026-08-31
通讯作者: ^*章凯强(1991年—)，研究员、博士生导师，长期从事CO₂地质利用封存与非常规油气提高采收率研究，kaiqiang.zhang@pku.edu.cn。
作者简介:唐永亮(1985年—)，硕士研究生，主要从事超深层油气藏精细描述、开发渗流机理和开发技术政策等方面研究，tangyl-tlm@petrochina.com.cn。
基金资助:
国家自然科学基金(42372151);国家自然科学基金(W2521139);及国家重点研发计划(2024YFE0107600)

Molecular dynamics study of the microscopic origin and evolution of water-sealed gas in nanopores: Insights from the Keshen 8 Block, Tarim Basin

TANG Yongliang¹^,²(), WANG Jiarui², ZHAO Ji¹, FAN Qiuhai¹, ZHU Songbai¹, LIU Enhao¹, ZHANG Xianjun¹, DONG Chen¹, XU Zhenyao², PAN Ziqing², ZHANG Kaiqiang²^,^*()

¹ PetroChina Tarim Oilfield Company, Korla 841000, China
² Institute of Energy, Peking University, Beijing 100871, China

Received:2026-02-25 Revised:2026-06-03 Online:2026-08-15 Published:2026-08-31

摘要/Abstract

摘要：

针对塔里木盆地克深8区块超深层致密气藏开发过程中，边底水侵入纳米孔隙后易在孔壁形成水膜并进一步演化为水桥，从而封堵气体运移通道、导致“水封气”的问题，本研究采用分子动力学模拟方法，构建甲烷－地层水－石英纳米狭缝模型，系统开展了水封气形成过程、平衡赋存状态以及孔径、压力和矿化度对临界含水饱和度与水膜厚度影响的研究，并进一步模拟了水桥增厚与破裂过程。研究表明，在亲水性纳米限域环境下，水分子吸附演化依次经历水膜形成、水膜加厚、水桥形成、水桥加厚和水桥破裂5个典型阶段；随着孔径增大，水膜向水桥转变所对应的临界含水饱和度和临界水膜厚度均明显增大，压力对水桥形成的临界条件影响较弱，而矿化度主要通过改变离子水化、界面水结构及固－液作用提高水桥形成所需的临界含水饱和度，但对临界水膜厚度影响有限。压力降低可削弱水桥稳定性并促进其破裂，解封压差可作为表征水封气解封难易程度的重要参数。研究结果从分子尺度揭示了纳米孔隙中水封气的形成与演化机理，可为克深8区块及类似致密气藏水封气赋存规律分析、微观机理认识及提高采收率提供理论依据。

关键词: 克深8区块, 水封气, 纳米孔隙, 水桥, 水膜, 分子动力学模拟

Abstract:

For the ultra-deep tight gas reservoir in the Keshen 8 block of the Tarim Basin, the invasion of edge and bottom water into nanopores can lead to the formation of water films on pore walls, which further evolve into water bridges, blocking gas migration pathways and causing the “water sealing gas” problem. In this study, molecular dynamics simulations were conducted by constructing a methane-formation water-quartz nano-slit model to systematically investigate the formation process, equilibrium occurrence state, and the effects of pore size, pressure, and salinity on the critical water saturation and water film thickness, as well as the thickening and rupture processes of water bridges. The results show that, in a hydrophilic nano-confined environment, water adsorption and evolution undergo five typical stages: water film formation, water film thickening, water bridge formation, water bridge thickening, and water bridge rupture. With increasing pore size, both the critical water saturation and critical water film thickness corresponding to the transition from water film to water bridge increase significantly. Pressure has a limited effect on the critical conditions for water bridge formation, whereas salinity mainly increases the critical water saturation required for water bridge formation by altering ion hydration, interfacial water structure, and solid-liquid interactions, while exerting only a limited influence on the critical water film thickness. Pressure reduction can weaken water bridge stability and promote its rupture, and the unsealing pressure difference can serve as an important parameter for characterizing the difficulty of water sealing gas release. These findings reveal the formation and evolution mechanisms of water sealing gas in nanopores from a molecular-scale perspective, providing a theoretical basis for analyzing water sealing gas occurrence, understanding microscopic mechanisms, and improving gas recovery in the Keshen 8 block and similar tight gas reservoirs.

Key words: Keshen 8 Block, water-blocked gas, nanopore, water bridge, water film, molecular dynamics simulation

唐永亮, 王佳睿, 赵冀, 范秋海, 朱松柏, 刘恩豪, 张现军, 董晨, 徐侦耀, 潘子晴, 章凯强. 基于分子动力学模拟的天然气藏纳米孔隙水封气微观成因及演化规律研究————以塔里木盆地克深8区块为例[J]. 石油科学通报, 2026, 11(4): 1244-1263.

TANG Yongliang, WANG Jiarui, ZHAO Ji, FAN Qiuhai, ZHU Songbai, LIU Enhao, ZHANG Xianjun, DONG Chen, XU Zhenyao, PAN Ziqing, ZHANG Kaiqiang. Molecular dynamics study of the microscopic origin and evolution of water-sealed gas in nanopores: Insights from the Keshen 8 Block, Tarim Basin[J]. Petroleum Science Bulletin, 2026, 11(4): 1244-1263.

https://sykxtb.cup.edu.cn/CN/Y2026/V11/I4/1244

图/表 26

图1 克深8气藏白垩系巴什基顶面构造图

Fig. 1 Structural map of the top of the Cretaceous Bashiji Formation in the Keshen 8 gas reservoir

图2 克深8区块岩心铸体薄片显微照片

Fig. 2 Photomicrographs of cast thin sections from core samples of the Keshen 8 Block

图3 克深8区块岩心孔径分布图

Fig. 3 Pore size distribution of core samples from the Keshen 8 block

图4 12 nm狭缝模型

Fig. 4 12 nm slit model

表1 模型敏感性分析参数

Table 1 Parameters for sensitivity analysis

序号	变量及单位	参数设置
1	压力/ MPa	60~123
2	孔径/ nm	4~12
3	水矿化度/ mol·L^-1	0~3

图5 体相润湿角测量图

Fig. 5 Measurement and extrapolation analysis of bulk-phase contact angle

图6 分子动力学模拟润湿角

Fig. 6 Contact angle from molecular dynamics simulation

图7 水封气形成过程示意图

Fig. 7 Schematic illustration of the water-blocked gas formation process

图8 不同大小(4、8、12 nm)狭缝中水封气形成过程示意

Fig. 8 Schematic illustration of the water-blocked gas formation process in 4、8、12 nm slits

图9 不同大小(4、8、12 nm)狭缝中水膜厚度变化图

Fig. 9 Variation of water film thickness in 4、8、12 nm slits

图10 液滴接触角

Fig. 10 Schematic illustration of droplet contact angle

表2 水桥形成过程中水接触角度数随含水饱和度的变化

Table 2 Variation of water contact angle with water saturation during the water bridge formation process

孔径	S_w=10%	S_w=20%	S_w=30%	S_w=40%	S_w=50%	S_w=60%
4 nm	0°	28°	30°	42°	水桥	水桥
8 nm	0°	0°	29°	32°	38°	水桥
12 nm	0°	0°	0°	0°	0°	30°

图11 水膜—水桥分子结构演化示意^[42]

Fig. 11 Schematic illustration of the molecular structural evolution from water film to water bridge^[42]

图12 比相互作用能随含水饱和度变化图

Fig. 12 Variation of interaction energy with water saturation

图13 不同含水饱和度条件下纳米狭缝中水分子数密度分布

Fig. 13 Number density distributions of water molecules in nanoslits under different water saturations

图14 不同含水饱和度条件下水分子O-H径向分布函数

Fig. 14 O-H radial distribution functions of water molecules under different water saturations

图15 4、8、12 nm下水桥加厚示意图

Fig. 15 Schematic illustration of water bridge thickening in 4、8、12 nm slits

图16 水桥宽度示意图

Fig. 16 Schematic diagram of the water bridge width

图17 不同孔径含水饱和度下水桥宽度变化图

Fig. 17 Variation of water bridge width with water saturation for different pore sizes

图18 水桥破裂过程示意图

Fig. 18 Schematic illustration of the water bridge breakdown process

图19 克深8区块见水井数量与产气量图

Fig. 19 Number of water-producing wells and gas production in the Keshen 8 Block

图20 不同压力、地层矿化度下临界水膜厚度及含水度随孔径变化图

Fig. 20 Variations of critical water film thickness and critical water saturation with pore size under different pressures and formation water salinities

图S1 高温高压润湿性分析仪

Fig. S1 High-temperature and high-pressure wettability analyzer

图S2 润湿性测试流程图

Fig. S2 Flowchart of the wettability test procedure

图S3 座滴法润湿角测定示意图

Fig. S3 Schematic diagram of contact angle measurement by the sessile drop method

图S4 岩石表面地层水接触角变化状态图(176.08 ℃)

Fig. S4 Variation in the contact angle of formation water on the rock surface at 176.08 °C

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基于分子动力学模拟的天然气藏纳米孔隙水封气微观成因及演化规律研究————以塔里木盆地克深8区块为例

Molecular dynamics study of the microscopic origin and evolution of water-sealed gas in nanopores: Insights from the Keshen 8 Block, Tarim Basin

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