不同类型表面活性剂在石英表面和油/水界面吸附行为的分子动力学模拟

Molecular Dynamics Simulation of Adsorption Behavior of Different Surfactants on Quartz Surface and Oil/water Interface

  • 摘要: 低渗透油藏开采中表面活性剂在岩石和油/水界面的吸附对岩石表面和油/水界面性质的影响,是低渗透油藏渗吸增强驱油技术的关键问题。本文运用分子动力学模拟方法研究了十八烷基二甲基羟丙基磺基甜菜碱(OHSB)、聚氧乙烯辛基苯酚醚-10(OP-10)、阳离子双子表面活性剂(12-4-12)、十二烷基苯磺酸钠(SDBS)和鼠李糖脂(RH-2DA)5种表面活性剂在石英(101)面和油/水界面的吸附行为。研究结果表明:12-4-12双子阳离子表面活性剂与带负电荷的石英表面之间的静电吸引作用最强,SDBS与石英表面之间的静电排斥作用最强,12-4-12和RH-2DA能够自发吸附在石英表面并降低石英表面的润湿性;5种表面活性剂在石英表面吸附能数值由小至大的顺序为12-4-12 < RH-2DA < OHSB < OP-10 < SDBS;5种表面活性剂均能自发吸附到油相表面,在油相表面吸附强弱的大小顺序为OP-10 > RH-2DA > OHSB > 12-4-12 > SDBS;5种表面活性剂在油/水界面的吸附均能增强油水界面的稳定性。

     

    Abstract: The adsorption behavior of surfactants on the rock and oil/water interface and its influence on the properties of the rock surface and the oil/water interface are the key issues in producing low permeability reservoirs of imbibition enhanced oil displacement technology in low permeability reservoirs. In this paper, molecular dynamics simulation methods are used to study the octadecyl dimethyl hydroxypropyl sultaine (OHSB), polyoxyethylene octyl phenol ether-10 (OP-10), Gemini surfactant (12-4-12), sodium dodecylbenzene sulfonate (SDBS), and rhamnolipid (RH-2DA), five types of surfactants adsorption behavior of on the quartz (101) surface and the oil/water interface. The study results show that among the five surfactants, the electrostatic attraction between the Gemini surfactant12-4-12 and the negatively charged quartz surface is the strongest, and the electrostatic repulsion between the SDBS and the quartz surface is the strongest. 12-4-12 and RH-2DA can spontaneously adsorb on the quartz surface and reduce the wettability of the quartz surface. The adsorption energy of five surfactants on the quartz surface from small to large is 12-4-12 < RH-2DA < OHSB < OP -10 < SDBS. All five surfactants can be adsorbed on the surface of the oil phase spontaneously, and the order of adsorption strength on the surface of the oil phase is OP-10 > RH-2DA > OHSB > 12-4-12 > SDBS. The adsorption of the five surfactants at the oil/water interface can all enhance the oil/water interface's stability.

     

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