Statistical Effective Diffusivity Estimation in Porous Media Using an Integrated On-site Imaging Workflow for Synchrotron Users.
Statistical Effective Diffusivity Estimation in Porous Media Using an Integrated On-site Imaging Workflow for Synchrotron Users.
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DOI：
10.1007/s11242-023-01993-7
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发表时间：
2023
影响因子：
2.7
通讯作者：
Roose, Tiina
中科院分区：
文献类型：
--
作者：
Le Houx, James;Ruiz, Siul;Fletcher, Daniel McKay;Ahmed, Sharif;Roose, Tiina
多孔介质中的输运对于许多物理、工程、生物和环境过程起着至关重要的作用。新的同步辐射成像技术和基于图像的模型，使更强大的量化的几何结构，影响通过孔隙空间的运输。然而，基于图像的建模是计算上昂贵的，并且最终用户在进行成像活动时通常需要快速且敏捷的大规模有效参数估计，其考虑孔隙尺度细节。在这篇手稿中，我们增强了一个预先存在的基于图像的模型求解器被称为OpenImpala估计批量规模的有效传输参数。特别是，修改了OpenImpala中的边界条件和方程，以便通过正式的多尺度均匀化展开来估计成像系统/几何结构中的有效扩散率。针对一系列基本体积尺寸生成有效孔隙空间扩散率的估计值，以估计有效扩散率值何时开始收敛到单个值。OpenImpala的结果与商业有限元方法包COMSOL Multiphysics（缩写为COMSOL）进行了验证。结果表明，OpenImpala确定的有效扩散系数值与COMSOL估计的值相似。对较大域进行的测试将基于完整图像的模型与使用有效扩散率参数的均质化（几何均匀）域进行比较，结果显示差异低于2%的误差，从而验证了有效扩散率估计值的准确性。最后，我们将OpenImpala的并行计算速度与COMSOL进行了比较。OpenImpala始终在几分钟内运行模拟，比COMSOL快两个数量级，提供相同的超级计算规范。总之，我们展示了OpenImpala作为现场层析成像处理管道的一部分的实用性，可以快速灵活地评估多孔介质过程，并在同步加速器光束线上进行成像时指导成像活动。在线版本包含补充材料，可通过10.1007/s11242-023-01993-7获得。
Transport in porous media plays an essential role for many physical, engineering, biological and environmental processes. Novel synchrotron imaging techniques and image-based models have enabled more robust quantification of geometric structures that influence transport through the pore space. However, image-based modelling is computationally expensive, and end users often require, while conducting imaging campaign, fast and agile bulk-scale effective parameter estimates that account for the pore-scale details. In this manuscript we enhance a pre-existing image-based model solver known as OpenImpala to estimate bulk-scale effective transport parameters. In particular, the boundary conditions and equations in OpenImpala were modified in order to estimate the effective diffusivity in an imaged system/geometry via a formal multi-scale homogenisation expansion. Estimates of effective pore space diffusivity were generated for a range of elementary volume sizes to estimate when the effective diffusivity values begin to converge to a single value. Results from OpenImpala were validated against a commercial finite element method package COMSOL Multiphysics (abbreviated as COMSOL). Results showed that the effective diffusivity values determined with OpenImpala were similar to those estimated by COMSOL. Tests on larger domains comparing a full image-based model to a homogenised (geometrically uniform) domain that used the effective diffusivity parameters showed differences below 2 % error, thus verifying the accuracy of the effective diffusivity estimates. Finally, we compared OpenImpala’s parallel computing speeds to COMSOL. OpenImpala consistently ran simulations within fractions of minutes, which was two orders of magnitude faster than COMSOL providing identical supercomputing specifications. In conclusion, we demonstrated OpenImpala’s utility as part of an on-site tomography processing pipeline allowing for fast and agile assessment of porous media processes and to guide imaging campaigns while they are happening at synchrotron beamlines. The online version contains supplementary material available at 10.1007/s11242-023-01993-7.
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DOI：
10.1098/rspa.2017.0178
发表时间：
2017-11
期刊：
Proceedings. Mathematical, physical, and engineering sciences
影响因子：
--
作者：
Cooper LJ;Daly KR;Hallett PD;Naveed M;Koebernick N;Bengough AG;George TS;Roose T
通讯作者：
Roose T
DOI：
10.1098/rspa.2013.0383
发表时间：
2014-02-08
期刊：
Proceedings. Mathematical, physical, and engineering sciences
影响因子：
--
作者：
Daly KR;Roose T
通讯作者：
Roose T
影响因子：
6.9
作者：
Daly KR;Keyes SD;Masum S;Roose T
通讯作者：
Roose T
影响因子：
9.4
作者：
Koebernick, Nicolai;Daly, Keith R.;Roose, Tiina
通讯作者：
Roose, Tiina
影响因子：
3.4
作者：
Le Houx, James;Kramer, Denis
通讯作者：
Kramer, Denis