水含量对沥青质聚集及油包水体系流变行为影响的分子动力学模拟研究
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    摘要:

    明确水环境下沥青质聚集态及体系流变性质对石油勘探开发和流动保障具有重要意义。本研究采用分子动力学模拟方法,揭示了不同水含量(0.25~20 wt%)对沥青质聚集结构影响及油包水(W/O)乳液体系流变行为调控的分子机制。研究结果表明:随水含量增加,沥青质从体相桥接聚集态向界面吸附态转变,其聚集强度受油水界面静电库仑作用所驱动,并通过形成氢键网络得到强化;体系粘度表现出先略微增加后逐渐下降趋势;水分子通过参与聚集结构的形成削弱了沥青质与周围油分子间的缔合作用主导了体系粘度的降低,而水与油相组分间形成的聚集结构强度对体系流变行为存在次级影响。该研究为油-水界面间复杂相互作用及其对W/O乳液稳定性提供了新的认识,为油水体系流变性调控提供了一定的理论依据。

    Abstract:

    Clarifying the aggregation state of asphaltenes and the rheological properties of the system in aqueous environments is of great significance for petroleum exploration, development, and flow assurance. In this study, molecular dynamics simulations were employed to reveal the influence of different water contents (0.25~20 wt%) on the aggregation structure of asphaltenes and the molecular mechanism regulating the rheological behavior of water-in-oil (W/O) emulsion systems. The results indicate that as water content increases, asphaltenes transition from a bulk bridging aggregation state to an interfacial adsorption state, driven by electrostatic Coulomb interactions at the oil-water interface and further reinforced by hydrogen bond network formation. The system viscosity initially exhibits a slight increase followed by a gradual decrease. Water molecules weaken the associative interactions between asphaltenes and surrounding oil molecules by participating in aggregate formation, primarily governing the viscosity reduction, while the strength of aggregate structures formed between water and oil components exerts a secondary influence on the rheological behavior. This study provides new insights into the complex interactions at oil-water interfaces and their impact on W/O emulsion stability, offering theoretical guidance for regulating the rheology of oil-water systems.

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  • 收稿日期:2025-10-22
  • 最后修改日期:2025-12-15
  • 录用日期:2025-12-23
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