Relating Darcy-Scale Chemical Reaction Order to Pore-Scale Spatial Heterogeneity

Author:

Huang Po-WeiORCID,Flemisch Bernd,Qin Chao-Zhong,Saar Martin O.,Ebigbo Anozie

Abstract

AbstractDue to spatial scaling effects, there is a discrepancy in mineral dissolution rates measured at different spatial scales. Many reasons for this spatial scaling effect can be given. We investigate one such reason, i.e., how pore-scale spatial heterogeneity in porous media affects overall mineral dissolution rates. Using the bundle-of-tubes model as an analogy for porous media, we show that the Darcy-scale reaction order increases as the statistical similarity between the pore sizes and the effective-surface-area ratio of the porous sample decreases. The analytical results quantify mineral spatial heterogeneity using the Darcy-scale reaction order and give a mechanistic explanation to the usage of reaction order in Darcy-scale modeling. The relation is used as a constitutive relation of reactive transport at the Darcy scale. We test the constitutive relation by simulating flow-through experiments. The proposed constitutive relation is able to model the solute breakthrough curve of the simulations. Our results imply that we can infer mineral spatial heterogeneity of a porous media using measured solute concentration over time in a flow-through dissolution experiment.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Swiss Federal Institute of Technology Zurich

Publisher

Springer Science and Business Media LLC

Subject

General Chemical Engineering,Catalysis

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