Pore-scale simulation of entrapped non-aqueous phase liquid dissolution
Pore-scale simulation of entrapped non-aqueous phase liquid dissolution
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DOI：
10.1016/j.advwatres.2006.03.009
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发表时间：
2007-03-01
影响因子：
4.7
通讯作者：
Miller, C. T.
中科院分区：
文献类型：
--
作者：
Pan, C.;Dalla, E.;Miller, C. T.
我们研究了非水相液体（NAPLs）在三维随机球包介质中的溶解，使用孔尺度建模方法来推进基本理解并严格连接到微尺度过程。残留的NAPL分布产生的形态学的方法和截留的非润湿相的定量特征在于通过计算体积，取向，界面面积，和形状的隔离NAPL区域。通过多重弛豫时间格子Boltzmann方法获得详细的水相流场，我们使用高分辨率，自适应模板有限体积格式和算子分裂算法求解孔隙空间中的对流扩散方程。我们表现出良好的协议之间的传质速率预测的计算方法和以前发表的实验观察。在这项工作中提出的孔隙尺度模拟提供了第一个三维的比较，已经进行了大量的实验工作，以获得本构关系，以量化从残余NAPL到流动的水相的传质。(C)2006爱思唯尔有限公司保留所有权利。
We investigated the dissolution of non-aqueous phase liquids (NAPLs) in a three-dimensional random sphere-pack medium using a pore-scale modeling approach to advance fundamental understanding and connect rigorously to microscale processes. Residual NAPL distributions were generated using a morphological approach and the entrapped non-wetting phase was quantitatively characterized by calculating volume, orientation, interfacial area, and shape of isolated NAPL regions. With a detailed aqueous-phase flow field obtained by a multiple-relaxation time lattice Boltzmann approach, we solved the advective-diffusive equation in the pore space using a high-resolution, adaptive-stencil finite-volume scheme and an operator-splitting algorithm. We show good agreement between the mass transfer rates predicted in the computational approach and previously published experimental observations. The pore-scale simulations presented in this work provide the first three-dimensional comparison to the considerable experimental work that has been performed to derive constitutive relations to quantify mass transfer from a residual NAPL to a flowing aqueous phase. (C) 2006 Elsevier Ltd. All rights reserved.