title: Upscaling retardation factor in hierarchical porous media with multimodal reactive mineral facies.
abstract: Aquifer heterogeneity controls spatial and temporal variability of reactive transport parameters and has significant impacts on subsurface modeling of flow, transport, and remediation. Upscaling (or homogenization) is a process to replace a heterogeneous domain with a homogeneous one such that both reproduce the same response. To make reliable and accurate predictions of reactive transport for contaminant in chemically and physically heterogeneous porous media, subsurface reactive transport modeling needs upscaled parameters such as effective retardation factor to perform field-scale simulations. This paper develops a conceptual model of multimodal reactive mineral facies for upscaling reactive transport parameters of hierarchical heterogeneous porous media. Based on the conceptual model, covariance of hydraulic conductivity, sorption coefficient, flow velocity, retardation factor, and cross-covariance between flow velocity and retardation factor are derived from geostatistical characterizations of a three-dimensional unbounded aquifer system. Subsequently, using a Lagrangian approach the scale-dependent analytical expressions are derived to describe the scaling effect of effective retardation factors in temporal and spatial domains. When time and space scales become sufficiently large, the effective retardation factors approximate their composite arithmetic mean. Correlation between the hydraulic conductivity and the sorption coefficient can significantly affect the values of the effective retardation factor in temporal and spatial domains. When the temporal and spatial scales are relatively small, scaling effect of the effective retardation factors is relatively large. This study provides a practical methodology to develop effective transport parameters for field-scale modeling at which remediation and risk assessment is actually conducted. It does not only bridge the gap between bench-scale measurements to field-scale modeling, but also provide new insights into the influence of hierarchical mineral distribution on effective retardation factor.
authors.affiliation: Earth and Environmental Sciences Division, Los Alamos National Laboratory, EES-16, T003, Los Alamos, NM 87545, United States. hailin@lanl.gov
authors.forename: Hailin
authors.initials: H
authors.lastname: Deng
authors.forename: Zhenxue
authors.initials: Z
authors.lastname: Dai
authors.forename: Andrew V
authors.initials: AV
authors.lastname: Wolfsberg
authors.forename: Ming
authors.initials: M
authors.lastname: Ye
authors.forename: Philip H
authors.initials: PH
authors.lastname: Stauffer
authors.forename: Zhiming
authors.initials: Z
authors.lastname: Lu
authors.forename: Edward
authors.initials: E
authors.lastname: Kwicklis
mesh_terms: D000327:Adsorption; D004784:Environmental Monitoring / Q000379:methods; D060587:Groundwater / Q000737:chemistry*; D008903:Minerals / Q000737:chemistry*; D008956:Models, Chemical; D016062:Porosity; D014872:Water Movements; D014874:Water Pollutants, Chemical / Q000737:chemistry*
chemical_list: D008903:Minerals; D014874:Water Pollutants, Chemical