A coupled transport and solid mechanics formulation with improved reaction kinetics parameters for modeling oxidation and decomposition in a uranium hydride bed.

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Description

Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed ... continued below

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38 p.

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Salloum, Maher N.; Shugard, Andrew D.; Kanouff, Michael P. & Gharagozloo, Patricia E. March 1, 2013.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Laboratories (SNL-CA), Livermore, CA (United States)
    Place of Publication: Livermore, California

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Description

Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed as a part of an ASC-P&EM project to address the shortcomings of the previous model. The model considers chemical reactions, heat transport, and mass transport within a hydride bed. Previously, the time-varying permeability and porosity were considered uniform. This led to discrepancies between the simulated results and experimental measurements. In this work, the effects of non-uniform changes in permeability and porosity due to phase and thermal expansion are accounted for. These expansions result in mechanical stresses that lead to bed deformation. To describe this, a simplified solid mechanics model for the local variation of permeability and porosity as a function of the local bed deformation is developed. By using this solid mechanics model, the agreement between our reacting bed model and the experimental data is improved. Additionally, more accurate uranium hydride oxidation kinetics parameters are obtained by fitting the experimental results from a pure uranium hydride oxidation measurement to the ones obtained from the coupled transport-solid mechanics model. Finally, the coupled transport-solid mechanics model governing equations and boundary conditions are summarized and recommendations are made for further development of ARIA and other Sandia codes in order for them to sufficiently implement the model.

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38 p.

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  • Report No.: SAND2013-2001
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 1095935
  • Archival Resource Key: ark:/67531/metadc840905

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Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • March 1, 2013

Added to The UNT Digital Library

  • May 19, 2016, 9:45 a.m.

Description Last Updated

  • Feb. 17, 2017, 4:20 p.m.

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Salloum, Maher N.; Shugard, Andrew D.; Kanouff, Michael P. & Gharagozloo, Patricia E. A coupled transport and solid mechanics formulation with improved reaction kinetics parameters for modeling oxidation and decomposition in a uranium hydride bed., report, March 1, 2013; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc840905/: accessed April 23, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.