微乳液相行为的实验与计算模型

Vai Yee Hon, Ismail B.M. Saaid
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引用次数: 0

摘要

用于化学提高采收率(EOR)的表面活性剂-盐水-油体系中形成的微乳的相行为非常复杂,并且取决于一系列参数。相行为表明表面活性剂的增溶作用。相行为测试简单但耗时,特别是当它涉及各种浓度的表面活性剂选择范围很广时。通过计算模拟得到的高效、有见地的微乳液配方可以补充实验室相行为测试。计算模拟可以预测表面活性剂的各种性质,包括微乳相行为。定量构效关系(QSPR)模型是预测微乳液相行为的主要方法。QSPR模型是经验的,仅限于简单的纯油系统。由于模型不能在参考条件之外进行外推,限制了其应用范围。同时,基于微乳液物理化学的理论模型可以预测微乳液的相行为。这些模型采用了微乳液表面张力和扭矩的概念,并考虑了微乳液界面弯曲刚度与表面增溶和界面能的关系。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Experimental and Computational Modeling of Microemulsion Phase Behavior
The phase behavior of microemulsions formed in a surfactant-brine-oil system for a chemical Enhanced Oil Recovery (EOR) application is complex and depends on a range of parameters. Phase behavior indicates a surfactant solubilization. Phase behavior tests are simple but time-consuming especially when it involves a wide range of surfactant choices at various concentrations. An efficient and insightful microemulsion formulation via computational simulation can complement phase behavior laboratory test. Computational simulation can predict various surfactant properties, including microemulsion phase behavior. Microemulsion phase behavior can be predicted predominantly using Quantitative Structure-Property Relationship (QSPR) model. QSPR models are empirical and limited to simple pure oil system. Its application domain is limited due to the model cannot be extrapolated beyond reference condition. Meanwhile, there are theoretical models based on physical chemistry of microemulsion that can predict microemulsion phase behavior. These models use microemulsion surface tension and torque concepts as well as with solution of bending rigidity of microemulsion interface with relation to surface solubilization and interface energy.
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