Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems

DePaolo, Donald J.; Orr, Franklin M.

doi:10.2172/935430

Cited by 12 publications

(6 citation statements)

References 180 publications

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“…These results are expected to have implications far beyond the studied system, in particular for other mineral phases structurally related to muscovite as well as other tetravalent actinides. Clay minerals are naturally abundant and also under consideration as active components of engineered barriers at nuclear waste disposal sites, in the USA (DePaolo, 2007), France (Gaucher et al, 2004), and Switzerland (Pearson et al, 2003). These minerals share many structural features with the investigated muscovite, and we expect similar interfacial reactivity on the corresponding interfaces.…”

Section: Discussionmentioning

confidence: 99%

Sorption of tetravalent thorium on muscovite

Schmidt

Lee

Wilson

et al. 2012

Geochimica et Cosmochimica Acta

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Adsorption of tetravalent thorium to the (0 0 1) basal surface of the phyllosilicate muscovite from an aqueous solution (1 Â 10 À4 mol/L Th(IV) in 1 Â 10 À1 mol/L NaCl, pH = 3.2) was studied by crystal truncation rod (CTR) and resonant anomalous X-ray reflectivity (RAXR) measurements. Th uptake to the muscovite surface from solutions with total Th concentrations [Th] tot = 1 Â 10 À6 -4.88 Â 10 À3 mol/L and 1 Â 10 À1 mol/L NaCl, pH = 3.2 was quantified by alpha-spectrometry. The uptake measurements showed that Th adsorption to the muscovite surface follows a Langmuir isotherm with an apparent adsorption constant K app = 2 Â 10 4 L/mol up to [Th] tot = 1.02 Â 10 À3 mol/L. The CTR and RAXR results identified one dominant Th species with a very broad distribution centered $10 Å above the surface, in agreement with strongly hydrated extended outer sphere sorption. The findings indicate that the large energy of hydration (DG hyd = À5815 kJ/mol (Marcus, 1991)) for the small and highly-charged Th 4+ cation is a controlling parameter in its surface speciation. The surface occupancy (0.4 Th per unit cell area, A UC ) measured by RAXR exceeds the expected level for surface charge compensation by tetravalent Th (0.25 Th/A UC ). However, the radiometric uptake measurements show smaller occupancies (0.21 Th/A UC ) after rinsing by deionized water, indicating a partial removability of sorbed thorium. Thorium oligomerization was observed at total Th concentrations [Th] tot P 2.0 Â 10 À3 mol/L in presence of the surface, although solubility studies suggest that Th is soluble under these solution conditions.

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Section: Discussionmentioning

confidence: 99%

Sorption of tetravalent thorium on muscovite

Schmidt

Lee

Wilson

et al. 2012

Geochimica et Cosmochimica Acta

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“…Alternatively, if no new data is available, Lazarus will "sleep" for 1 second and query the data spool again. Once all the ensemble members successfully terminate, the data is collected and the EnKF application is run (4). Control of the workflow is returned to Lazarus (5) much higher capacity or temporary lower load-factors (e.g, after a power-down/start-up).…”

Section: Performance Datamentioning

confidence: 99%

“…To copy otherwise, to republish, to post on servers or to redistribute to lists, requires prior specific permission and/or a fee. continue to be in heavy use (in both developing and industrialized countries) and consequently generate large volumes of carbon dioxide [4]. The atmospheric impact of this greenhouse gas can be abated through capturing and sequestering significant fractions of the produced CO2.…”

Section: Introductionmentioning

confidence: 99%

“…One of the major areas of research in this field is the characterization of reservoirs that are safe and secure, environmentally and geologically and are therefore promising candidates for CO2 sequestration [4,21]. Our efforts are directed towards developing cyberinfrastructure tools, technologies and abstractions that facilitate large scale reservoir characterization and forecasting studies.…”

Section: Introductionmentioning

confidence: 99%

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Modelling data-driven CO ₂ sequestration using distributed HPC cyberinfrastructure

El-Khamra

Jha

White

2010

Proceedings of the 2010 TeraGrid Conference

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In this paper we lay out the computational challenges involved in effectively simulating complex phenomena such as sequestering CO2 in oil and gas reservoirs. The challenges arise at multiple levels: (i) the computational complexity of simulating the fundamental processes; (ii) the resource requirements of the computationally demanding simulations; (iii) the need for integrating real-time data (intensive) and computationally intensive simulations; (iv) and the need to implement all of these in a robust, scalable and extensible approach. We will outline the architecture and implementation of the solution we develop in response to these requirements, and discuss results to validate claims that our solution scales to effectively solve desired problem sizes and thus provides the capability to generate novel scientific insight.

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“…Multiphysical transport has attracted a lot of attention in recent years due to its increasingly important applications in biomedical, environmental, and energy engineering [1][2][3][4][5]. Electrokinetic flow, which involves multiple processes including fluid flow, electrostatic interaction, species diffusion, and sometimes energy transfer, is one of the most typical multiphysical transport phenomena because of the ubiquitousness of the electrolyte solution in nature and engineering applications [6,7].…”

Section: Introductionmentioning

confidence: 99%

Modeling electrokinetic flows in microchannels using coupled lattice Boltzmann methods

Wang

Kang

2010

Journal of Computational Physics

119

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a b s t r a c tWe present a numerical framework to solve the dynamic model for electrokinetic flows in microchannels using coupled lattice Boltzmann methods. The governing equation for each transport process is solved by a lattice Boltzmann model and the entire process is simulated through an iteration procedure. After validation, the present method is used to study the applicability of the Poisson-Boltzmann model for electrokinetic flows in microchannels. Our results show that for homogeneously charged long channels, the Poisson-Boltzmann model is applicable for a wide range of electric double layer thickness. For the electric potential distribution, the Poisson-Boltzmann model can provide good predictions until the electric double layers fully overlap, meaning that the thickness of the double layer equals the channel width. For the electroosmotic velocity, the Poisson-Boltzmann model is valid even when the thickness of the double layer is 10 times of the channel width. For heterogeneously charged microchannels, a higher zeta potential and an enhanced velocity field may cause the Poisson-Boltzmann model to fail to provide accurate predictions. The ionic diffusion coefficients have little effect on the steady flows for either homogeneously or heterogeneously charged channels. However the ionic valence of solvent has remarkable influences on both the electric potential distribution and the flow velocity even in homogeneously charged microchannels. Both theoretical analyses and numerical results indicate that the valence and the concentration of the counter-ions dominate the Debye length, the electrical potential distribution, and the ions transport. The present results may improve the understanding of the electrokinetic transport characteristics in microchannels.Published by Elsevier Inc.

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Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems

Cited by 12 publications

References 180 publications

Sorption of tetravalent thorium on muscovite

Sorption of tetravalent thorium on muscovite

Modelling data-driven CO ₂ sequestration using distributed HPC cyberinfrastructure

Modeling electrokinetic flows in microchannels using coupled lattice Boltzmann methods

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Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems

Cited by 12 publications

References 180 publications

Sorption of tetravalent thorium on muscovite

Sorption of tetravalent thorium on muscovite

Modelling data-driven CO 2 sequestration using distributed HPC cyberinfrastructure

Modeling electrokinetic flows in microchannels using coupled lattice Boltzmann methods

Contact Info

Product

Resources

About

Modelling data-driven CO ₂ sequestration using distributed HPC cyberinfrastructure