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

Abstract

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

CLC Number:

TQ423

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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References 35

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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

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

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