This study focuses on numerical modeling of fluid flow and solute transport in rough-walled rock fractures and fracture-matrix systems, with the main aim to investigate the impacts of fracture surface roughness on flow and transport processes in rock fractures. Both 2D and 3D fracture models were built from laser-scanned surface tomography of a real granite rock sample, to consider realistic features of surface tomography and potential asperity contacts. The flow was simulated by directly solving the Navier-Stokes equations (NSE) and the transport was modeled by solving the advection-dispersion equation (ADE) in the entire domain of fracture-matrix system, including matrix diffusion process. Such direct simulations provided detailed flow and concentration fields for quantitatively analysis of flow and transport behavior. The detailed analysis of surface roughness decomposition, complex flow patterns (i.e., channeling, transverse and eddy flows), effective advective flow apertures, effective transmissivity, effective dispersivity, residence time, transport resistance and specific surface area demonstrated significant impacts of realistic fracture surface roughness on fluid flow and solute transport processes in rock fractures. The results show that the surface roughness and shear displacement caused asperity contacts significantly enhance nonlinearity and complexity of flow and transport processes in rough-walled fractures and fracture-matrix systems. The surface roughness also causes invasion flows in intersected fractures which enhance solute mixing at fracture intersections. Therefore, the fracture surface roughness is an important source of uncertainty in application of such simplified models like cubic law (CL) for fluid flow and analytical solutions for solute transport in rock fractures. The research conducted advances our understanding of realistic flow and transport processes in natural fractured rocks. The results are useful for model validation/extension, uncertainty analysis/quantification and laboratory experiments design in the context of various applications related to fracture flow and transport. / Denna studie fokuserar på numerisk modellering av vätskeflöde och transport av lösta ämnen i frakturer med ojämna väggar samt fraktur-matrissystem, med det huvudsakliga syftet att undersöka effekterna av frakturernas ytjämnhet på flödes- och transportprocesser i bergsfrakturer. Både 2D och 3D modeller skapades utifrån laser skannad tomografi av ett verkligt bergartsprov av granit, för att överväga de realistiska egenskaperna hos ytan och potentiell skrovlighet. Flödet simulerades genom att lösa Navier-Stokes ekvationer (NSE) och transporten modellerades genom att lösa advektion-dispersion ekvation (ADE) i hela domänen av fraktur-matrissystemet, inklusive diffusions process i matrisen. Sådana direkta simuleringar resulterade i detaljerade flödes- och koncentrationsfält för att kvantitativt kunna analysera flödet och transportbeteendet. En detaljerad analys av upplösningen av ytjämnhet, komplexa flödesmönster (dvs kanalisering, tvärgående och virvelströmmar), effektiv advektiv flödesöppning, effektiv transmissivitet, effektiv dispersivitet, uppehållstid, transport motstånd och specifik yta visade signifikanta effekter av realistiska ojämna frakturväggar på vätskeflöde och lösta transportprocesser i bergssprickor. Resultaten visar att ytjämnhet och skjuvningssystemsorsakade asperitetskontakter avsevärt förbättrar olinjäritet och komplexitet av flödes- och transportprocesser i frakturer med ojämna väggar samt fraktur-matrissystem. Ytråheten orsakar också intrång av flöde i tvärgående frakturer vilket ökar blandingen av lösta ämnen i korsningarna. Därför är ytjämnhet av frakturerna en viktig källa till osäkerhet i tillämpningen av sådana förenklade modeller som kubisk lag (CL) för vätskeflöde och analytiska lösningar för transport av lösta ämnen i bergsfrakturer. Studien har ökat förståelsen för realistiska flödes- och transportprocesser i naturligt sprucket berg. Resultaten är användbara för modellvalidering/förlängning, osäkerhetsanalys/kvantifiering och design av laboratorieexperiment i samband med olika tillämpningar av flöde och transport i bergsfrakturer. / <p>QC 20161010</p>

In this thesis a study of the factors affecting virus and virus-sized particle transport in discrete fractured dolomite rocks is presented. Physical and chemical characteristics of two fractured rocks were determined, including fracture aperture distribution, rock matrix porosity, mineral composition, and surface charge. Hydraulic and transport tests were conducted in the fractures with a conservative solute (bromide) and carboxylate-modified latex (CML) microspheres of three sizes (20, 200, and 500 nm in diameter). The earlier arrival of larger microspheres as compared to bromide indicated the effects of pore-size exclusion and preferential flow paths in the fractures. The tailing of the bromide and the smaller microsphere (20 nm) in the breakthrough curves (BTC) indicated the diffusive mass transfer between the mobile water (flowing) and immobile water (stagnant water in the low aperture areas and porous rock matrix). The effects of ionic strength and cation type on the transport of viruses (bacteriophages MS2 and PR772) and virus-sized microspheres (20 and 200 nm) were determined from the transport tests in a fracture at three levels of ionic strength (3, 5, and 12 mM) and composition (containing Na+ and/or Ca2+ ions). Retention of the microspheres and bacteriophages increased with increasing ionic strength. The addition of divalent ions (Ca2+) influenced the retention to a greater extent than monovalent ions (Na+). The effects of the aperture distribution variability, matrix diffusion, and specific discharge on the solute and microsphere transport were determined from the transport tests conducted in two fractures. The higher variability in the aperture distribution contributed to higher solute dispersion, and flow channeling as evident from the breakthrough curves for individual spatially distributed outlets. A three-dimensional model simulation of the bromide transport with varying matrix porosity identified that the porous matrix influenced the solute transport. In the transport tests, retention of the microspheres decreased with increasing specific discharge in both fractures. The results of this research have helped in identifying the important factors and their effects on solute, virus, and virus-sized colloid transport in fractured dolomite rocks, which can be useful in determining the risk of pathogen contamination of water supplies in fractured dolomite rock aquifers.

In this thesis a study of the factors affecting virus and virus-sized particle transport in discrete fractured dolomite rocks is presented. Physical and chemical characteristics of two fractured rocks were determined, including fracture aperture distribution, rock matrix porosity, mineral composition, and surface charge. Hydraulic and transport tests were conducted in the fractures with a conservative solute (bromide) and carboxylate-modified latex (CML) microspheres of three sizes (20, 200, and 500 nm in diameter). The earlier arrival of larger microspheres as compared to bromide indicated the effects of pore-size exclusion and preferential flow paths in the fractures. The tailing of the bromide and the smaller microsphere (20 nm) in the breakthrough curves (BTC) indicated the diffusive mass transfer between the mobile water (flowing) and immobile water (stagnant water in the low aperture areas and porous rock matrix). The effects of ionic strength and cation type on the transport of viruses (bacteriophages MS2 and PR772) and virus-sized microspheres (20 and 200 nm) were determined from the transport tests in a fracture at three levels of ionic strength (3, 5, and 12 mM) and composition (containing Na+ and/or Ca2+ ions). Retention of the microspheres and bacteriophages increased with increasing ionic strength. The addition of divalent ions (Ca2+) influenced the retention to a greater extent than monovalent ions (Na+). The effects of the aperture distribution variability, matrix diffusion, and specific discharge on the solute and microsphere transport were determined from the transport tests conducted in two fractures. The higher variability in the aperture distribution contributed to higher solute dispersion, and flow channeling as evident from the breakthrough curves for individual spatially distributed outlets. A three-dimensional model simulation of the bromide transport with varying matrix porosity identified that the porous matrix influenced the solute transport. In the transport tests, retention of the microspheres decreased with increasing specific discharge in both fractures. The results of this research have helped in identifying the important factors and their effects on solute, virus, and virus-sized colloid transport in fractured dolomite rocks, which can be useful in determining the risk of pathogen contamination of water supplies in fractured dolomite rock aquifers.

In this thesis, fluid flow and solute transport in heterogeneous aquifers and particularly in frac-tured rock have been investigated using Lagrangian Stochastic Advective-Reaction (LaSAR) framework. The heterogeneity of the aquifer structure or fracture configuration, as well as the various reaction/retention processes have been considered in the modelling approach. Advection and retention processes are considered to be the dominant transport processes. Monte-Carlo simulation results for transport of nonreactive tracers in 2D generic heterogeneous aquifers indicate that the travel time τ can be well approximated by a lognormal distribution up to a relative high degree of heterogeneity of the aquifers. Comparison between the Monte-Carlo simulation results and the results of first-order approximation reveals that the analytical solutions of the statistical moments of τ are valid only when the variability of the aquifer properties is small. For reactive tracers, Monte-Carlo simulations have been conducted by accounting for spatial variability of both hydraulic conductivity and one sorption parameter simultaneously. The simulation results indicate that the reaction flow path μ is a nonlinear function of distance for shorter distance, linear function for longer distance, and also that μ and τ are well correlated over the considered parameter range. The parameter β, which is purely determined by the flow condi-tions, quantifies the hydrodynamic control of retention processes for transport of tracers in frac-tures. Numerical simulations have been performed to study the statistical properties of the pa-rameter β, travel time τ and flow rate Q in a single heterogeneous fracture and in a sequence of fractures. The results of Monte-Carlo simulations indicate that the parameter β and τ are corre-lated with a power-law relationship β ∼ τm. The correlation between β and the flow rate Q have also been studied and an inverse power-law relationship β ∼ Q-m is proposed. The establishment of these relationships provides a link between the parameter β and measurable parameters τ (or Q). The LaSAR approach has been applied for prediction, evaluation and interpretation of the results of a number of tracer tests (TRUE-1, TRUE Block Scale and TRUE Block Scale Continuation) conducted by SKB at the Äspö site for tracer transport in fractures. The breakthrough curves may be predicted reasonably well, provided that the retention parameters, boundary conditions and hydraulic properties of the domain are given. The evaluation of TRUE tests indicates that the retention occurs mainly in the rim zone on site characterization time scales, while on the per-formance assessment time scale, diffusion and sorption in the unaltered rock matrix are likely to become dominant retention mechanisms. / QC 20100624

[Truncated abstract] To date, many subsurface contaminant modelling studies have focused on increasing model complexity and measurement requirements to improve model accuracy and widen model application. However, due to the highly complex and heterogeneous nature of flow in the subsurface, the greater benefit in model development may lie in decreasing complexity by identifying key processes and parameters, simplifying the relationships that exist between them, and incorporating these relationships into simple models that recognise or quantify the inherent complexity and uncertainty. To address this need, this study aims to identify and isolate the key processes and parameters that control dense nonaqueous phase liquid (DNAPL) and aqueous phase migration through single, onedimensional fractures. This is a theoretical representation which allows the study of processes through conceptual and mathematical models. Fracture systems typically consist of multiple two-dimensional fractures in a three-dimensional network; however, these systems are computationally and conceptually demanding to investigate and were outside of the scope of this study. This work initially focuses on DNAPL migration in single, one-dimensional fractures. The similitude techniques of dimensional and inspectional analysis are performed to simplify the system and to develop breakthrough time scale factors. This approach relies heavily on the limitations of the equation used for the analysis and on the difficulty in representing variable aperture scenarios. The complexity of the conceptual model is then increased by embedding the fracture in a two-dimensional, porous matrix. ... These tools can be readily applied by the field investigator or computer modeller to make order-of-magnitude estimates of breakthrough times, reduce or target measurement requirements, and lessen the need to employ numerical multiphase flow models. To determine the implications of the results found in the one-dimensional studies to applications at the field scale, the complexity of the conceptual model was increased to a single, two-dimensional, planar fracture embedded in a three-dimensional porous matrix. The focus of this study was not DNAPL breakthrough times but the relative importance and interaction of different mass transport processes and parameters on plume migration and evolution. Observations clearly show that estimates of the size, location and concentration of the plume is highly dependent on the geologic media, the temporal and spatial location and resolution of measurements, and on the history, mass and location of the DNAPL source. In addition, the processes controlling mass transport (especially matrix diffusion and back diffusion) act in combination at the field scale in ways not always expected from an analysis of processes acting individually at smaller spatial and temporal scales. Serious concerns over the application of the common '1% Rule of Thumb' to predict DNAPL presence and the use of remediation efforts that rely largely on natural attenuation are raised. These findings have major implications for the field worker and computer modeller, and any characterisation, monitoring or remediation program development needs to be sensitive to these findings.

A model is developed to describe solute transport and retention in fractured rocks. It accounts for the fact that solutes not only can diffuse directly from the flowing channel into the adjacent rock matrix composed of different geological layers but can also at first diffuse into the stagnant water zone occupied in part of the fracture and then from there into the rock matrix adjacent to it. Moreover, the effect of radioactive decay-chain has also been studied in the presence of matrix comprising different geological layers. In spite of the complexities of the system, the analytical solution obtained for the Laplace-transformed concentration at the outlet of the flowing channel can conveniently be transformed back to the time domainby use of e.g. De Hoog algorithm. This allows one to readily include it into a fracture network modelorachannelnetwork model to predictnuclide transport through channels in heterogeneous fracturedmedia consisting of an arbitrary number of rock units withpiecewise constant properties. Simulations made in this study indicate that, in addition to the intact wall rock adjacent to the flowing channel, the stagnant water zone and the rock matrix adjacent to it may also lead to a considerable retardation of solute in cases with a narrow channel. The results further suggest that it is necessary to account for decay-chain and also rock matrix comprising at least two different geological layers in safety and performance assessment of the repositories for spent nuclear fuel. The altered zone may cause a great decrease of the nuclide concentration at the outlet of the flowing channel. The radionuclide decay, when accounted for, will drastically decrease the concentration of nuclides, while neglecting radioactive ingrowth would underestimate the concentration of daughter nuclides. / <p>QC 20140224</p>