Molecular Simulation of Adsorption of Hydrophobically Associating Polymers and Anionic Surfactants on Sandstone Surfaces

QI Yong; SHU Zheng; LUO Ping-ya; ZHU Shi-jie; LIU Wan-fa

doi:10.14028/j.cnki.1003-3726.2025.24.274

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Molecular Simulation of Adsorption of Hydrophobically Associating Polymers and Anionic Surfactants on Sandstone Surfaces

更新时间：2025-02-27

- Molecular Simulation of Adsorption of Hydrophobically Associating Polymers and Anionic Surfactants on Sandstone Surfaces
- Polymer Bulletin Vol. 38, Issue 3, Pages: 472-479(2025)
- 作者机构：
  
  1.西南石油大学油气藏地质及开发工程全国重点实验室，成都 610500
  2.重庆科技大学石油与天然气工程学院，重庆 401331
  3.长庆油田第二采油厂，庆城 745106
- 作者简介：
- 基金信息：
- DOI：10.14028/j.cnki.1003-3726.2025.24.274
  CLC：
- Received：18 September 2024，
  
  Accepted：2024-11-22，
  
  Published Online：06 January 2025，
  
  Published：20 March 2025
- 稿件说明：
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齐勇, 舒政, 罗平亚, 朱诗杰, 刘万发. 疏水缔合聚合物与阴离子表面活性剂在砂岩表面的吸附分子模拟研究. 高分子通报, 2025, 38(3), 472–479.

Qi, Y.; Shu, Z.; Luo, P. Y.; Zhu, S. J.; Liu, W. F. Molecular simulation of adsorption of hydrophobically associating polymers and anionic surfactants on sandstone surfaces. Polym. Bull. (in Chinese), 2025, 38(3), 472–479.
齐勇, 舒政, 罗平亚, 朱诗杰, 刘万发. 疏水缔合聚合物与阴离子表面活性剂在砂岩表面的吸附分子模拟研究. 高分子通报, 2025, 38(3), 472–479. DOI： 10.14028/j.cnki.1003-3726.2025.24.274.

Qi, Y.; Shu, Z.; Luo, P. Y.; Zhu, S. J.; Liu, W. F. Molecular simulation of adsorption of hydrophobically associating polymers and anionic surfactants on sandstone surfaces. Polym. Bull. (in Chinese), 2025, 38(3), 472–479. DOI： 10.14028/j.cnki.1003-3726.2025.24.274.

摘要

为探究疏水缔合聚合物与阴离子表面活性剂在砂岩表面的吸附特性，以疏水缔合聚合物(HAWP)和十二烷基苯磺酸钠(SDS)为研究对象，建立HAWP/SDS体系，采用分子动力学模拟阐释疏水缔合聚合物与阴离子表面活性剂在砂岩表面竞争吸附特性。模拟结果表明，HAWP/SDS体系在砂岩表面吸附过程中，SDS会发生色谱分离，其扩散系数要大于HAWP，优先吸附于砂岩表面，体系中的SDS含量降低，其与HAWP的相互作用减弱，使得HAWP的链伸展，引起体系性能的变化。SDS在砂岩表面的吸附主要受氢键作用，其在砂岩表面吸附能的绝对值呈现出先快速增大，随后略微降低，再增大，最后趋于平稳的变化规律。RCD结果表明阴离子表面活性剂SDS能够吸附在砂岩表面，会在砂岩表面形成单层自组装膜，导致砂岩表面的水被驱离表面，从而改变砂岩表面的润湿性。

Abstract

To investigate the adsorption characteristics of hydrophobically associating polymers and anionic surfactants on the sandstone surface

hydrophobically associating polymer (HAWP) and sodium dodecylbenzene sulfonate (SDS) were employed as the research objects to establish the HAWP/SDS system. Moreover

the molecular dynamics simulation was utilized to elucidate the competitive adsorption characteristics of the hydrophobically associating polymers and anionic surfactants on the sandstone surface. The simulation results indicated that during the adsorption of the HAWP/SDS system on the sandstone surface

SDS underwent chromatographic separation

and its diffusion coefficient was larger than that of HAWP. It was preferentially adsorbed on the surface of the sandstone

and the SDS content in the system diminished. The interactions between SDS and the polymer HAWP were weakened

which led to the extension of the polymer HAWP chain and altered the properties of the system. The adsorption of SDS on the sandstone surface was primarily affected by hydrogen bonding

and the absolute value of its adsorption energy on the sandstone surface exhibited a pattern of rapid increase

followed by a slight decrease

then an increase again

and finally tended to stabilize. The relative concentration distribution (RCD) results revealed that the anionic surfactant SDS can be adsorbed on the surface of the sandstone and form a monolayer of self-assembled film on the sandstone surface

which resulted in the water on the sandstone surface being driven away from the surface

thus changing the wetting property of the sandstone surface.

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references

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