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Extension of HLD-NAC Flash Calculation Algorithm to Multicomponent Mixtures of Microemulsion and Excess Phases

机译:HLD-NAC闪光灯计算算法扩展微量乳液和过量阶段的多组分混合物

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Current HLD-NAC theory and most simulators represent multicomponent mixtures with three lumped components, where the excess phases are also assumed pure. This can cause significant errors, and discontinuities in chemical flooding simulation for surfactant mixtures. We coupled the HLD-NAC and pseudo-phase models to develop an EOS for microemulsions where surfactant, polymer, alcohol, alkali and monovalent/divalent ions can partition differently into the excess phases and microemulsion phase as temperature and pressure are changed. We develop a pseudo-phase model to calculate partitioning of components between lumped components or namely pseudo-phases. The pseudo-phase model is based on a transformed composition space. The partitioning model is based on different mechanisms such as cation exchange like reactions for ions and surfactant hydration properties. Next, the three-pseudo-component HLD-NAC EOS is used to calculate curvature of the interface and microemulsion phase composition based on pseudo-phases. That is, the microemulsion phase consists of a curved ruled surface between water and oil pseudo-phases. Polymer partitioning is updated based on micelle radius. Finally, the phase compositions are converted back from pseudo-phase space to the original composition space. This model is the first comprehensive and mechanistic flash calculation algorithm based on HLD-NAC and pseudo-phase theory to calculate microemulsion properties for mixtures without the assumption of pure excess phases. This algorithm allows for modeling of the chromatographic separation of surfactant, soap, alcohol, alkali and polymer components in chemical flooding processes. Current microemulsion models usually ignore the differing partitioning of components between excess and microemulsion phases, generating discontinuities that slow computational time and adversely impact accuracy.
机译:当前HLD-NAC理论和大多数模拟器代表多组分混合物具有三个集成部件,其中还假设过量的相位纯。这可能导致表面活性剂混合物的化学洪水模拟中的显着误差和不连续性。我们耦合HLD-NAC和伪相模型以开发用于微乳液的EOS,其中表面活性剂,聚合物,醇,碱和单价/二价离子可以以不同的方式分配到过量相中,并且在温度和压力变化时,微乳液相。我们开发了伪相模型,以计算集总组分或即伪相之间的组件的分区。伪相模型基于变换的组合空间。分区模型基于不同的机制,例如阳离子交换,如离子和表面活性剂水合特性的反应。接着,将三伪分量HLD-NAC EOS用于基于伪相的界面和微乳液相组合物的计算曲率。也就是说,微乳液阶段由水和油伪相之间的弯曲型表面组成。基于胶束半径更新聚合物分配。最后,将相组合物从伪相空间转换回原始组合物空间。该模型是基于HLD-NAC和伪期理论的第一综合机械闪光计算算法,以计算混合物的微乳液性能,而不假设纯多阶段。该算法允许在化学洪水过程中建模表面活性剂,肥皂,醇,碱和聚合物组分的色谱分离。目前的微乳液模型通常忽略过量和微乳液相之间的分配的不同分配,产生慢速计算时间和不利影响准确性的不连续性。

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