On breakdown of macroscopic models of mixing-controlled heterogeneous reactions in porous media
On breakdown of macroscopic models of mixing-controlled heterogeneous reactions in porous media
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DOI：
10.1016/j.advwatres.2009.08.008
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发表时间：
2009-11-01
影响因子：
4.7
通讯作者：
Scheibe, T.
中科院分区：
文献类型：
--
作者：
Battiato, I.;Tartakovsky, D. M.;Scheibe, T.
多孔介质中的反应输运是一种复杂的非线性现象，它涉及溶解在流体中的物质之间的均相（生物）化学反应和发生在液-固界面上的非均相反应。我们建立了充分条件，在此条件下，宏观反应扩散方程（RDES）提供了一个适当的平均描述孔隙尺度的过程。这些条件由二维空间中的相图表示，该相图由Damkohler数和尺度分离参数构成。该相图表明，多孔介质中的高度局部化现象，包括多孔基质上的沉淀（和/或溶解），并不适合宏观（放大）描述。为了计算使用宏观RDE产生的预测误差，我们将孔隙尺度RDE放大到连续（宏观）尺度，并使用孔隙尺度数值模拟来验证各种放大假设。(C)2009爱思唯尔有限公司版权所有。
Reactive transport in porous media is a complex nonlinear phenomenon that involves both homogeneous (bio-)chemical reactions between species dissolved in a fluid and heterogeneous reactions occurring on liquid-solid interfaces. We establish sufficient conditions under which macroscopic reaction-diffusion equations (RDEs) provide an adequate averaged description of pore-scale processes. These conditions are represented by a phase diagram in a two-dimensional space, which is spanned by Damkohler number and a scale-separation parameter. This phase diagram shows that highly localized phenomena in porous media, including precipitation on (and/or dissolution of) a porous matrix, do not lend themselves to macroscopic (upscaled) descriptions. To compute the predictive errors resulting from the use of macroscopic RDEs, we upscaled the pore-scale RDEs to the continuum (macroscopic) scale and used pore-scale numerical simulations to verify various upscaling assumptions. (C) 2009 Elsevier Ltd. All rights reserved.