分子动力学模拟研究低盐度水对石英表面原油脱附的影响

Molecular Dynamics Study on the Effect of Low-Salinity Water on Crude Oil Desorption from Quartz Surface

  • 摘要: 为研究盐度对致密砂岩油藏原油-石英界面脱附的微观调控机制,构建包含四种代表性组分(乙酸、甲苯、庚烷、癸烷)的原油-石英吸附模型及不同盐度梯度油-水-岩脱附模型。通过分子动力学模拟结合相对浓度分布、结合能及质心位移等参数分析,系统阐释盐度-原油组分竞争吸附机理。结果表明:原油在石英表面的吸附稳定性为乙酸>甲苯>癸烷>庚烷;低盐度水通过双电层扩张与离子桥接解离协同作用驱动原油高效脱附,高盐度水因离子屏障与极性屏蔽作用导致脱附滞后且不完全;原油脱附效果排序遵循低盐度水>中低盐度水>去离子水>中高盐度水>高盐度水。本研究揭示了盐度梯度调控原油脱附的分子机理,为致密砂岩油藏低盐度水驱提供理论依据。

     

    Abstract: To investigate the microscopic regulatory mechanism of salinity on crude oil desorption at the quartz interface in tight sandstone reservoirs, adsorption models of four-component crude oil (acetic acid, toluene, heptane, decane) on quartz and oil-water-rock desorption models under different salinity gradients were constructed. Molecular dynamics simulations were performed, with multi-parameter analysis including relative concentration profiles, interaction energy, and centroid distance. The mechanism of salinity-crude oil component competitive adsorption was systematically elucidated. Results show that the adsorption stability of crude oil components on quartz follows the order: acetic acid > toluene > decane > heptane; Low-salinity water drives efficient crude oil desorption through the synergistic effect of electrical double layer expansion and ion bridging-induced dissociation, while high-salinity water causes delayed and incomplete desorption due to ion barrier and polarity shielding effects; The desorption efficiency ranks as low-salinity water > medium-low salinity water > deionized water > medium-high salinity water > high-salinity water. This study reveals the molecular mechanism of salinity gradient regulating crude oil desorption, providing a theoretical basis for low-salinity waterflooding in tight sandstone reservoirs.

     

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