Peter C. Lichtner
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View article: Alquimia v1.0: a generic interface to biogeochemical codes – a tool for interoperable development, prototyping and benchmarking for multiphysics simulators
Alquimia v1.0: a generic interface to biogeochemical codes – a tool for interoperable development, prototyping and benchmarking for multiphysics simulators Open
Alquimia v1.0 is a generic interface to geochemical solvers that facilitates development of multiphysics simulators by enabling code coupling, prototyping and benchmarking. The interface enforces the function arguments and their types for …
View article: Cr(VI) Reduction on Fe(III) Solid Surfaces at Vacuum Pressures
Cr(VI) Reduction on Fe(III) Solid Surfaces at Vacuum Pressures Open
Here, we investigate how the oxidation state of Cr adsorbed to solid surfaces can change during XPS analysis. Experiments are performed to test how Fe(III) solid surfaces, aqueous chemistry, and XPS vacuum conditions affected the measured …
View article: Alquimia v1.0: A generic interface to biogeochemical codes – A tool for interoperable development, prototyping and benchmarking for multiphysics simulators
Alquimia v1.0: A generic interface to biogeochemical codes – A tool for interoperable development, prototyping and benchmarking for multiphysics simulators Open
We present Alquimia v1.0, a generic interface to geochemical solvers that facilitates development of multiphysics simulators by enabling code coupling, prototyping and benchmarking. The interface enforces a call signature for setting up, s…
View article: Field-scale model for the natural attenuation of uranium at the Hanford 300 area using high performance computing
Field-scale model for the natural attenuation of uranium at the Hanford 300 area using high performance computing Open
Three-dimensional reactive flow and transport simulations are carried out to better understand the persistence of uranium [U(VI)] at the Hanford 300 Area bordering the Columbia River. The massively parallel code PFLOTRAN developed under a …
View article: Removal of Aqueous Uranyl and Arsenate Mixtures after Reaction with Limestone, PO<sub>4</sub><sup>3–</sup>, and Ca<sup>2+</sup>
Removal of Aqueous Uranyl and Arsenate Mixtures after Reaction with Limestone, PO<sub>4</sub><sup>3–</sup>, and Ca<sup>2+</sup> Open
The co-occurrence of uranyl and arsenate in contaminated water caused by natural processes and mining is a concern for impacted communities, including in Native American lands in the U.S. Southwest. We investigated the simultaneous removal…
View article: Kinetics of Na- and K- uranyl arsenate dissolution
Kinetics of Na- and K- uranyl arsenate dissolution Open
View article: Interfacial Interactions of Uranium and Arsenic with Microplastics: From Field Detection to Controlled Laboratory Tests
Interfacial Interactions of Uranium and Arsenic with Microplastics: From Field Detection to Controlled Laboratory Tests Open
We studied the co-occurrence of microplastics (MPs) and metals in field sites and further investigated their interfacial interaction in controlled laboratory conditions. First, we detected MPs in freshwater co-occurring with metals in rura…
View article: Solubility and Thermodynamic Investigation of Meta-Autunite Group Uranyl Arsenate Solids with Monovalent Cations Na and K
Solubility and Thermodynamic Investigation of Meta-Autunite Group Uranyl Arsenate Solids with Monovalent Cations Na and K Open
We investigated the aqueous solubility and thermodynamic properties of two meta-autunite group uranyl arsenate solids (UAs). The measured solubility products (log Ksp) obtained in dissolution and precipitation experiments…
View article: Multiple Continuum Approach to Modeling Radionuclide Transport in Fractured Networks.
Multiple Continuum Approach to Modeling Radionuclide Transport in Fractured Networks. Open
View article: Multiple Continuum Approach to Modeling Radionuclide Transport in Fractured Networks
Multiple Continuum Approach to Modeling Radionuclide Transport in Fractured Networks Open
Traditional discrete fracture models implementing matrix diffusion can be computationally expensive and only applicable to simplified transport problems. Upscaling to a continuum model can reduce computational burden, but models based on o…
View article: GDSA PFLOTRAN Development (FY2021)
GDSA PFLOTRAN Development (FY2021) Open
The Spent Fuel & Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic d…
View article: Effect of Bicarbonate, Calcium, and pH on the Reactivity of As(V) and U(VI) Mixtures
Effect of Bicarbonate, Calcium, and pH on the Reactivity of As(V) and U(VI) Mixtures Open
Natural or anthropogenic processes can increase the concentration of uranium (U) and arsenic (As) above the maximum contaminant levels in water sources. Bicarbonate and calcium (Ca) can have major impacts on U speciation and can affect the…
View article: Development of a Fully Coupled Biogeochemical Reactive Transport Model to Simulate Microbial Oxidation of Organic Carbon and Pyrite Under Nitrate‐Reducing Conditions
Development of a Fully Coupled Biogeochemical Reactive Transport Model to Simulate Microbial Oxidation of Organic Carbon and Pyrite Under Nitrate‐Reducing Conditions Open
In regions with intensive agriculture nitrate is one of the most relevant contaminants in groundwater. Denitrification reduces elevated nitrate concentrations in many aquifers, yet the denitrification potential is limited by the concentrat…
View article: Experimental study of gravitational mixing of supercritical CO2
Experimental study of gravitational mixing of supercritical CO2 Open
View article: Reactive Transport of U and V from Abandoned Uranium Mine Wastes
Reactive Transport of U and V from Abandoned Uranium Mine Wastes Open
The reactive transport of uranium (U) and vanadium(V) from abandoned mine wastes collected from the Blue Gap/Tachee Claim-28 mine site in Arizona was investigated by integrating flow-through column experiments with reactive transport model…
View article: Evaluating model complexity in simulating supercritical CO2 dissolution, leakage, footprint, and reservoir pressure for three-dimensional hierarchical aquifer
Evaluating model complexity in simulating supercritical CO2 dissolution, leakage, footprint, and reservoir pressure for three-dimensional hierarchical aquifer Open
View article: Effect of Intermittent Flow on the Mobility of Metals from Abandoned Uranium Mine Waste Sites on Native American Land.
Effect of Intermittent Flow on the Mobility of Metals from Abandoned Uranium Mine Waste Sites on Native American Land. Open
Column experiments were conducted to study the effect of intermittent flow on the mobility of metals from abandoned uranium mine waste sites in Blue Gap Tachee (BGT), AZ and Laguna, NM.Intermittent flow represent the rainfall patterns in t…
View article: Addressing numerical challenges in introducing a reactive transport code into a land surface model: a biogeochemical modeling proof-of-concept with CLM–PFLOTRAN 1.0
Addressing numerical challenges in introducing a reactive transport code into a land surface model: a biogeochemical modeling proof-of-concept with CLM–PFLOTRAN 1.0 Open
We explore coupling to a configurable subsurface reactive transport code as a flexible and extensible approach to biogeochemistry in land surface models. A reaction network with the Community Land Model carbon–nitrogen (CLM-CN) decompositi…
View article: Using reactive transport codes to provide mechanistic biogeochemistry representations in global land surface models: CLM-PFLOTRAN 1.0
Using reactive transport codes to provide mechanistic biogeochemistry representations in global land surface models: CLM-PFLOTRAN 1.0 Open
We explore coupling to a configurable subsurface reactive transport code as a flexible and extensible approach to biogeochemistry in land surface models; our goal is to facilitate testing of alternative models and incorporation of new unde…
View article: End-Member Formulation of Solid Solutions and Reactive Transport
End-Member Formulation of Solid Solutions and Reactive Transport Open
A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid soluti…
View article: Determining ways of improving the tribological properties of the silicon carbide ceramic using a pulse-periodic laser treatment
Determining ways of improving the tribological properties of the silicon carbide ceramic using a pulse-periodic laser treatment Open
Laser surface microstructuring is applied to improve the tribological properties of materials. To increase potential practical applications, the expansion of the laser microstructuring functionalities through the use of more common laser s…