A Pore-Scale Computational Model for the Simulation of Mass Transfer From Nonaqueous Phase Liquids

这项研究将提供一个基于物理的质量描述 多流体多孔介质中的传递过程 通过开发一个 孔隙尺度混相输运模型，并将其与现有 孔隙尺度模型的流体-流体驱替，一个完整的， 毛细管位移的自洽数学描述， 流体运动、相间传质和混溶污染物 运输将得到。 在这个模型中， 系数将被预测为界面面积的函数， 这将与流体饱和度直接相关。 比较 模型结果与一些实验室实验结果的对比 将使用涉及非水相液体（NAPL）溶解的 来验证模型。 预测质量与 传递系数和毛管压力-饱和度-相对 将探讨渗透率关系。 该模型将用于 研究色散率和 液体饱和度，包括检查可能的滞后。 最后，将探讨材料不均匀性的影响， 重点是确定有效传质 系数和宏观分散性。 的实际效用 结果将通过耦合连续尺度来证明 孔隙尺度模型预测的输运性质， 传统的连续尺度多相模拟器。

This study will provide a physically-based description of the mass transfer process in multi-fluid porous media. By developing a pore-scale miscible transport model and coupling it with existing pore-scale models for fluid-fluid displacement, a complete and self-consistent mathematical description of capillary displacement, fluid motion, interphase mass transfer, and miscible contaminant transport will be obtained. With this model, mass transfer coefficients will be predicted as functions of interfacial areas, which will be directly related to fluid saturations. comparison of model results to a number of reported laboratory experiments involving non-aqueous phase liquid (NAPL) dissolution will be used to validate the model. Correlations between predicted mass transfer coefficients and capillary pressure-saturation-relative permeability relations will be explored. The model will be used to investigate the functional dependence between dispersivities and fluid saturations, including examination of possible hysteresis. Finally, the influence of material heterogeneity will be explored, with an emphasis on determination of effective mass transfer coefficients and macrodispersivities. The practical utility of the results will be demonstrated by coupling the continuum-scale transport properties predicted by the pore-scale models to more traditional continuum-scale multi-phase simulators.