长链烷基季铵盐压裂液在不同岩石界面的伤害机理研究：分子动力学模拟与实验验证

doi:10.3969/j.issn.2097-2806.2026.09.004

摘要/Abstract

摘要：

非常规油气开采需借助高性能压裂液，以实现储层增产优化与储层伤害最小化的双重目标。本文采用宏观实验与分子动力学模拟相结合的方法，选取长链烷基季铵盐基黏弹性表面活性剂压裂液，系统研究了其在砂岩、页岩、煤岩三种典型储层岩石表面的界面吸附行为，并通过岩心吸附与地层伤害实验分析了吸附量变化及地层伤害特性。结果表明，压裂液在岩石表面的吸附主要受温度主导，压力影响较小；模拟中径向分布函数及均方位移等分析与宏观吸附实验结论一致，证实页岩表面因具有丰富极性位点，压裂液在其表面的吸附强度与吸附量均最大，砂岩则最小；地层伤害率与渗透率呈负相关，相同条件下页岩伤害率最高，达到16.2%，砂岩最低，为6.5%，且基于此建立的伤害率与吸附能、润湿性及渗透率经验公式拟合优度R²≥0.99。本研究为阳离子表面活性剂基压裂液在不同储层中的应用提供了理论基础，对于从微观层面揭示压裂液对地层的伤害机理给予了一定的帮助。

关键词: 压裂液, 长链烷基季铵盐, 地层伤害, 分子动力学模拟

Abstract:

Exploitation of unconventional oil and gas resources requires the use of high-performance fracturing fluids to achieve the dual goals of optimizing reservoir stimulation and minimizing formation damage. In this work, a combined approach of macroscopic experiments and molecular dynamics （MD） simulations was employed to systematically investigate the interfacial adsorption behavior of a viscoelastic surfactant （VES） -based fracturing fluid, which was based on a long-chain alkyl quaternary ammonium salt, on three typical reservoir rocks: sandstone, shale, and coal. The adsorption capacity and formation damage characteristics were analyzed through core adsorption and formation damage experiments. The results indicated that the adsorption of the fracturing fluid on rock surfaces was primarily driven by temperature, with pressure exerting a minor influence. The analyses of radial distribution function （RDF） and mean squared displacement （MSD） in simulations were consistent with the macroscopic experimental conclusions. It was confirmed that both the adsorption strength and adsorption capacity of the fracturing fluid for shale were the highest due to the abundance of polar sites on shale surface, whereas those for sandstone were the lowest. The formation damage exhibited negative correlation with permeability; under identical conditions, the damage rate was highest for shale （16.2%） and lowest for the sandstone （6.5%）. Furthermore, an empirical formula correlating the damage rate with adsorption energy, wettability, and permeability was established, yielding a goodness of fit （R²） ≥ 0.99. This work provided a theoretical support for application of cationic surfactant-based fracturing fluids in diverse reservoirs, and it also contributed to elucidating the microscopic mechanisms of fracturing fluid-induced formation damage.

Key words: fracturing fluid, long-chain alkyl quaternary ammonium salt, formation damage, molecular dynamics simulation

中图分类号:

TQ423

郭布民, 申金伟, 赵健, 陈玲, 徐延涛, 王洋. 长链烷基季铵盐压裂液在不同岩石界面的伤害机理研究：分子动力学模拟与实验验证[J]. 日用化学工业（中英文）, 2026, 56(9): 1158-1168.

Bumin Guo, Jinwei Shen, Jian Zhao, Ling Chen, Yantao Xu, Yang Wang. Reservoir damage mechanism of the fracturing fluid based on a long-chain alkyl quaternary ammonium salt at different rock interfaces: Molecular dynamics simulation and experimental verification[J]. China Surfactant Detergent & Cosmetics, 2026, 56(9): 1158-1168.

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序号	w （长链烷基季铵盐） /%	w （NaSal） /%	w （KCl） /%
1	3.6	3	1.5
2	3	3	-
3	2	3	1.5
4	1.2	3	1.5
5	0.9	2	-
6	0.9	2.8	1.5

岩心类型	吸光度	平衡吸附浓度ρ₁	吸附量Q	平均吸附量Q₁
页岩	0.374 72	178.4	8.04	8.11
	0.370 21	176.2	8.10
	0.363 24	172.8	8.18
煤岩	0.573 98	275.6	5.61	5.45
	0.581 77	279.4	5.50
	0.605 96	291.2	5.22
砂岩	0.799 48	385.6	2.86	2.75
	0.804 81	388.2	2.80
	0.822 03	396.6	2.58

岩心类型	γ	n	p	m	R²
砂岩	15.2	0.1	0.1	0.05	0.992
页岩	17.5	0.2	0.15	0.05	0.99
煤岩	16.3	0.2	0.2	0.06	0.991