Modification of the finite element heat and mass transfer code (FEHMN) to model multicomponent reactive transport

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The finite element code FEHMN is a three-dimensional finite element heat and mass transport simulator that can handle complex stratigraphy and nonlinear processes such as vadose zone flow, heat flow and solute transport. Scientists at LANL have been developed hydrologic flow and transport models of the Yucca Mountain site using FEHMN. Previous FEHMN simulations have used an equivalent K{sub d} model to model solute transport. In this thesis, FEHMN is modified making it possible to simulate the transport of a species with a rigorous chemical model. Including the rigorous chemical equations into FEHMN simulations should provide for more representative transport ... continued below

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114 p.

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Viswanathan, H. S. December 31, 1995.

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Description

The finite element code FEHMN is a three-dimensional finite element heat and mass transport simulator that can handle complex stratigraphy and nonlinear processes such as vadose zone flow, heat flow and solute transport. Scientists at LANL have been developed hydrologic flow and transport models of the Yucca Mountain site using FEHMN. Previous FEHMN simulations have used an equivalent K{sub d} model to model solute transport. In this thesis, FEHMN is modified making it possible to simulate the transport of a species with a rigorous chemical model. Including the rigorous chemical equations into FEHMN simulations should provide for more representative transport models for highly reactive chemical species. A fully kinetic formulation is chosen for the FEHMN reactive transport model. Several methods are available to computationally implement a fully kinetic formulation. Different numerical algorithms are investigated in order to optimize computational efficiency and memory requirements of the reactive transport model. The best algorithm of those investigated is then incorporated into FEHMN. The algorithm chosen requires for the user to place strongly coupled species into groups which are then solved for simultaneously using FEHMN. The complete reactive transport model is verified over a wide variety of problems and is shown to be working properly. The simulations demonstrate that gas flow and carbonate chemistry can significantly affect {sup 14}C transport at Yucca Mountain. The simulations also provide that the new capabilities of FEHMN can be used to refine and buttress already existing Yucca Mountain radionuclide transport studies.

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114 p.

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INIS; OSTI as DE98000889

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  • Other Information: PBD: 1995

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  • Other: DE98000889
  • Report No.: LA-SUB--97-48
  • Grant Number: W-7405-ENG-36
  • DOI: 10.2172/541823 | External Link
  • Office of Scientific & Technical Information Report Number: 541823
  • Archival Resource Key: ark:/67531/metadc699256

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  • December 31, 1995

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  • Aug. 14, 2015, 8:43 a.m.

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  • May 18, 2016, 6:21 p.m.

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Viswanathan, H. S. Modification of the finite element heat and mass transfer code (FEHMN) to model multicomponent reactive transport, report, December 31, 1995; New Mexico. (digital.library.unt.edu/ark:/67531/metadc699256/: accessed June 24, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.