Boris Faybishenko

Conceptual model of the geometry and physics of water flow in a fractured basalt vadose zone

A conceptual model of the geometry and physics of water flow in a fractured basalt vadose zone was developed based on the results of lithological studies and a series of ponded infiltration tests conducted at the Box Canyon site near the Idaho National Engineering and Environmental Laboratory. The infiltration tests included one 2-week test in 1996, three 2-day tests in 1997, and one 4-day test in 1997. For the various tests, initial infiltration rates ranged from 4.1 cm/d (4.75 ×10−7 m/s) to 17.7 cm/d (2.05×10−7 m/s) and then decreased with time, presumably because of mechanical or microbiological clogging of fractures and esicular basalt in the near-surface zone, as well as the effect of entrapped air. The subsurface moisture redistribution was monitored with tensiometers, neutron logging, time domain reflectrometry, and ground-penetrating radar. A conservative tracer, potassium bromide, was added to the pond water at a concentration of 3 g/L to monitor water flow with electrical resistivity probes and water sampling. Analysis of the data shows evidence of preferential flow rather than the propagation of a uniform wetting front. We propose a conceptual model describing the saturation-desaturation behavior of the basalt, in which rapid preferential flow occurs through the largest vertical fractures, followed by a gradual wetting of other fractures and the basalt matrix. Fractures that are saturated early in the tests may become desaturated thereafter, which we attribute to the redistribution of water between fractures and matrix. Lateral movement of water takes place within horizontal fracture and rubble zones, enabling development of perched water bodies.

Inverse modeling of a radial multistep outflow experiment for determining unsaturated hydraulic properties

Modeling flow and solute transport in the unsaturated zone on the basis of the Richards equation requires specifying values for unsaturated hydraulic conductivity and water potential as a function of saturation. The objectives of the paper are to evaluate the design of a transient, radial, multi-step outflow experiment, and to determine unsaturated hydraulic parameters using inverse modeling. We conducted numerical simulations, sensitivity analyses, and synthetic data inversions to assess the suitability of the proposed experiment for concurrently estimating the parameters of interest. We calibrated different conceptual models against transient flow and pressure data from a multi-step, radial desaturation experiment to obtain estimates of absolute permeability, as well as the parameters of the relative permeability and capillary pressure functions. We discuss the differences in the estimated parameter values and illustrate the impact of the underlying model on the estimates. We demonstrate that a small error in absolute permeability, if determined in an independent experiment, leads to biased estimates of unsaturated hydraulic properties. Therefore, we perform a joint inversion of pressure and flow rate data for the simultaneous determination of permeability and retention parameters, and analyze the correlations between these parameters. We conclude that the proposed combination of a radial desaturation experiment and inverse modeling is suitable for simultaneously determining the unsaturated hydraulic properties of a single soil sample, and that the inverse modeling technique provides the opportunity to analyze data from nonstandard experimental designs.

Chaotic dynamics in flow through unsaturated fractured media

Abstract Predictions of flow and transport within fractured rock in the vadose zone cannot be made without first characterizing the physics of unstable flow phenomena in unsaturated fractures. This paper introduces a new approach for studying complex flow processes in heterogeneous fractured media, using the methods of nonlinear dynamics and chaos––in particular reconstructing the system dynamics and calculating chaotic diagnostic parameters from time-series data. To demonstrate the application of chaotic analysis, this author analyzed the time-series pressure fluctuations from two water–air flow experiments conducted by Persoff and Pruess [Water Resour. Res. 31 (1995) 1175] in replicas of rough-walled rock fractures under controlled boundary conditions. This analysis showed that chaotic flow in fractures creates relaxational oscillations of liquid, gas, and capillary pressures. These pressure oscillations were used to calculate the diagnostic parameters of deterministic chaos, including correlation time, global embedding dimension, local embedding dimension, Lyapunov dimension, Lyapunov exponents, and correlation dimension. The results of the Persoff–Pruess experiments were then compared with the chaotic analysis of laboratory dripping-water experiments in fracture models and field-infiltration experiments in fractured basalt. This comparison allowed us to conjecture that intrinsic fracture flow and dripping, as well as extrinsic water dripping (from a fracture) subjected to a capillary-barrier effect, are deterministic-chaotic processes with a certain random component. The unsaturated fractured rock is a dynamic system that exhibits chaotic behavior because the flow processes are nonlinear, dissipative, and sensitive to initial conditions, with chaotic fluctuations generated by intrinsic properties of the system, not random external factors. Identifying a system as deterministically chaotic is important for developing appropriate short- and long-term prediction models, evaluating prediction uncertainty, assessing the spatial distribution of flow characteristics from time-series data, and improving chemical-transport simulations.

Microbial community response to addition of polylactate compounds to stimulate hexavalent chromium reduction in groundwater.

To evaluate the efficacy of bioimmobilization of Cr(VI) in groundwater at the Department of Energy Hanford site, we conducted a series of microcosm experiments using a range of commercial electron donors with varying degrees of lactate polymerization (polylactate). These experiments were conducted using Hanford Formation sediments (coarse sand and gravel) immersed in Hanford groundwater, which were amended with Cr(VI) and several types of lactate-based electron donors (Hydrogen Release Compound, HRC; primer-HRC, pHRC; extended release HRC) and the polylactate-cysteine form (Metal Remediation Compound, MRC). The results showed that polylactate compounds stimulated an increase in bacterial biomass and activity to a greater extent than sodium lactate when applied at equivalent carbon concentrations. At the same time, concentrations of headspace hydrogen and methane increased and correlated with changes in the microbial community structure. Enrichment of Pseudomonas spp. occurred with all lactate additions, and enrichment of sulfate-reducing Desulfosporosinus spp. occurred with almost complete sulfate reduction. The results of these experiments demonstrate that amendment with the pHRC and MRC forms result in effective removal of Cr(VI) from solution most likely by both direct (enzymatic) and indirect (microbially generated reductant) mechanisms.

Microbial Community Succession during Lactate Amendment and Electron Acceptor Limitation Reveals a Predominance of Metal-Reducing Pelosinus spp.

ABSTRACT The determination of the success of in situ bioremediation strategies is complex. By using controlled laboratory conditions, the influence of individual variables, such as U(VI), Cr(VI), and electron donors and acceptors on community structure, dynamics, and the metal-reducing potential can be studied. Triplicate anaerobic, continuous-flow reactors were inoculated with Cr(VI)-contaminated groundwater from the Hanford, WA, 100-H area, amended with lactate, and incubated for 95 days to obtain stable, enriched communities. The reactors were kept anaerobic with N2 gas (9 ml/min) flushing the headspace and were fed a defined medium amended with 30 mM lactate and 0.05 mM sulfate with a 48-h generation time. The resultant diversity decreased from 63 genera within 12 phyla to 11 bacterial genera (from 3 phyla) and 2 archaeal genera (from 1 phylum). Final communities were dominated by Pelosinus spp. and to a lesser degree, Acetobacterium spp., with low levels of other organisms, including methanogens. Four new strains of Pelosinus were isolated, with 3 strains being capable of Cr(VI) reduction while one also reduced U(VI). Under limited sulfate, it appeared that the sulfate reducers, including Desulfovibrio spp., were outcompeted. These results suggest that during times of electron acceptor limitation in situ, organisms such as Pelosinus spp. may outcompete the more-well-studied organisms while maintaining overall metal reduction rates and extents. Finally, lab-scale simulations can test new strategies on a smaller scale while facilitating community member isolation, so that a deeper understanding of community metabolism can be revealed.

On the physics of unstable infiltration, seepage, and gravity drainage in partially saturated tuffs

To improve understanding of the physics of dynamic instabilities in unsaturated flow processes within the Paintbrush nonwelded unit (PTn) and the middle nonlithophysal portion of the Topopah Spring welded tuff unit (TSw) of Yucca Mountain, we analyzed data from a series of infiltration tests carried out at two sites (Alcove 4 and Alcove 6) in the Exploratory Studies Facility (ESF), using analytical and empirical functions. The analysis of infiltration rates measured at both sites showed three temporal scales of infiltration rate: (1) a macro-scale trend of overall decreasing flow, (2) a meso-scale trend of fast and slow motion exhibiting three-stage variations of the flow rate (decreasing, increasing, and [again] decreasing flow rate, as observed in soils in the presence of entrapped air), and (3) micro-scale (high frequency) fluctuations. Infiltration tests in the nonwelded unit at Alcove 4 indicate that this unit may effectively dampen episodic fast infiltration events; however, well-known Kostyakov, Horton, and Philip equations do not satisfactorily describe the observed trends of the infiltration rate. Instead, a Weibull distribution model can most accurately describe experimentally determined time trends of the infiltration rate. Infiltration tests in highly permeable, fractured, welded tuff at Alcove 6 indicate that the infiltration rate exhibits pulsation, which may have been caused by multiple threshold effects and water-air redistribution between fractures and matrix. The empirical relationships between the extrinsic seepage from fractures, matrix imbibition, and gravity drainage versus the infiltration rate, as well as scaling and self-similarity for the leading edge of the water front are the hallmark of the nonlinear dynamic processes in water flow under episodic infiltration through fractured tuff. Based on the analysis of experimental data, we propose a conceptual model of a dynamic fracture flow and fracture-matrix interaction in fractured tuff, incorporating the time-dependent processes of water redistribution in the fracture-matrix system.

Observational Data Patterns for Time Series Data Quality Assessment

Observational data are fundamental for scientific research in almost any domain. Recent advances in sensor and data management technologies are enabling unprecedented amounts of observational data to be collected and analyzed. However, an essential part of using observational data is not currently as scalable as data collection and analysis methods: data quality assurance and control. While specialized tools for very narrow domains do exist, general methods are harder to create. This paper explores the identification of data issues that lead to the creation of data tests and tools to perform data quality control activities. Developing this identification step in a systematic manner allows for better and more general quality control tools. As our case study, we use carbon, water, and energy fluxes as well as micro-meteorological data collected at field sites that are part of FLUXNET, a network of over 400 ecosystem-level monitoring stations. In an effort toward the release of a new global data set of fluxes, we are doing data quality control for these data. The experience from this work led to the creation of a catalog of issues identified in the data. This paper presents this catalog and its generalization into a set of patterns of data quality issues that can be detected in observational data.

Simulating infiltration tests in fractured basalt at the Box Canyon Site, Idaho

Simulating Infiltration Tests in Fractured Basalt at the Box Canyon Site, Idaho. Andre J.A. Unger *,a , Boris Faybishenko a , Gudmundur S. Bodvarsson a , and Ardyth M. Simmons b a Earth Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California, USA b Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico, USA 87545 Corresponding author (AJAUnger@lbl.gov) Phone: (510) 495-2823 Fax: (510) 486-5686

Identifying key controls on the behavior of an acidic-U(VI) plume in the Savannah River Site using reactive transport modeling.

Acidic low-level waste radioactive waste solutions were discharged to three unlined seepage basins at the F-Area of the Department of Energy (DOE) Savannah River Site (SRS), South Carolina, USA, from 1955 through 1989. Despite many years of active remediation, the groundwater remains acidic and contaminated with significant levels of U(VI) and other radionuclides. Monitored Natural Attenuation (MNA) is a desired closure strategy for the site, based on the premise that regional flow of clean background groundwater will eventually neutralize the groundwater acidity, immobilizing U(VI) through adsorption. An in situ treatment system is currently in place to accelerate this in the downgradient portion of the plume and similar measures could be taken upgradient if necessary. Understanding the long-term pH and U(VI) adsorption behavior at the site is critical to assess feasibility of MNA along with the in-situ remediation treatments. This paper presents a reactive transport (RT) model and uncertainty quantification (UQ) analyses to explore key controls on the U(VI)-plume evolution and long-term mobility at this site. Two-dimensional numerical RT simulations are run including the saturated and unsaturated (vadose) zones, U(VI) and H(+) adsorption (surface complexation) onto sediments, dissolution and precipitation of Al and Fe minerals, and key hydrodynamic processes are considered. UQ techniques are applied using a new open-source tool that is part of the developing ASCEM reactive transport modeling and analysis framework to: (1) identify the complex physical and geochemical processes that control the U(VI) plume migration in the pH range where the plume is highly mobile, (2) evaluate those physical and geochemical parameters that are most controlling, and (3) predict the future plume evolution constrained by historical, chemical and hydrological data. The RT simulation results show a good agreement with the observed historical pH and concentrations of U(VI), nitrates and Al concentrations at multiple locations. Mineral dissolution and precipitation combined with adsorption reactions on goethite and kaolinite (the main minerals present with quartz) could buffer pH at the site for long periods of time. UQ analysis using the Morris one-at-a-time (OAT) method indicates that the model/parameter is most sensitive to the pH of the waste solution, discharge rates, and the reactive surface area available for adsorption. However, as a key finding, UQ analysis also indicates that this model (and parameters) sensitivity evolves in space and time, and its understanding could be crucial to assess the temporal efficiency of a remediation strategy in contaminated sites. Results also indicate that residual U(VI) and H(+) adsorbed in the vadose zone, as well as aquifer permeability, could have a significant impact on the acidic plume long-term mobility.

A Simple Model of the Variability of Soil Depths

Soil depth tends to vary from a few centimeters to several meters, depending on many natural and environmental factors. We hypothesize that the cumulative effect of these factors on soil depth, which is chiefly dependent on the process of biogeochemical weathering, is particularly affected by soil porewater (i.e., solute) transport and infiltration from the land surface. Taking into account evidence for a non-Gaussian distribution of rock weathering rates, we propose a simple mathematical model to describe the relationship between soil depth and infiltration flux. The model was tested using several areas in mostly semi-arid climate zones. The application of this model demonstrates the use of fundamental principles of physics to quantify the coupled effects of the five principal soil-forming factors of Dokuchaev.