Upscaling of reactive mass transport in fractured rocks with multimodal reactive mineral facies.

[1] This paper presents a methodology for upscaling matrix‐material transport parameters in fractured‐flow dominated systems with multimodal reactive mineral facies. The upscaling method provides a theoretical and practical link between controlled experimental results at the laboratory/bench scale and multikilometer field scales at which contaminant remediation and risk assessment are actually conducted. As sorption reactions in matrix are in part determined by mineral properties, a new conceptual model is developed to reflect the hierarchical structure of reactive mineral facies at the microform, mesoform, and macroform scales. The conceptual model of hierarchical reactive matrix mineral facies is integrated with a dual‐porosity model for simulating diffusion of solutes out of fractures and sorption onto the matrix minerals. By assuming that sorption reactions primarily occur in the rock matrix, we develop a multimodal spatial random function for characterizing both the tortuosity (physical heterogeneity) and sorption coefficient (chemical heterogeneity) at different scales in the rock matrix. The effective tortuosity at the field scale is derived by volume averaging of mass transfer coefficient for a conservative species. Subsequently, using a sorbing species (e.g., uranium), we derive the equations for upscaling the sorption coefficients in a saturated, fractured‐rock system for field‐scale simulations. The effective field‐scale tortuosity and sorption coefficient are related to their mean, variance, integral scale, and domain size along a pathway through a three‐ dimensional flow field. The upscaled values increase with the integral scale and are larger than their geometric mean. Simulations conducted with upscaled sorption coefficients and tortuousities are compared very well with high‐resolution Monte Carlo simulations capturing the parameter spatial variations. Results of this study can be extended to explore scaledependenceofotherimportant transportparametersforfractured‐rocksolutetransport. Citation: Deng, H., Z. Dai, A. Wolfsberg, Z. Lu, M. Ye, and P. Reimus (2010), Upscaling of reactive mass transport in fractured rocks with multimodal reactive mineral facies, Water Resour. Res., 46, W06501, doi:10.1029/2009WR008363.