[Amath-seminars] Talk by Emily Ryan on Feb 24

Randall J. LeVeque rjl at uw.edu
Mon Feb 21 07:40:40 PST 2011

Emily Ryan of PNNL will be speaking on Thursday February 24, 2011 at
4:00pm in Guggenheim 218.

This is the first in a series of seminars we plan to hold in the
coming months to increase interaction between the Pacific Northwest
National Laboratory and researchers at UW in applied mathematics and
computational science. Please join us.

Title: Numerical Modeling of Reactive Transport in Porous Media

Abstract: The study of reactive transport in porous media applies to
many areas of science and engineering including problems in the energy
sciences field such as electrochemical devices, radioactive
contaminants in the subsurface, and carbon capture technologies. The
multi-physics of these systems occur at various spatial and temporal
scales and to understand the systems computational modeling is needed
at these various scales. In this talk I will discuss multi-scale
modeling efforts to investigate high temperature fuel cells,
contaminants in the subsurface and post-combustion carbon capture
technologies. In particular I will focus on a pore-scale model of
reactive transport in porous media, which uses the smoothed particle
hydrodynamics (SPH) modeling method to discretely model reactive
transport at the pore-scale. SPH is a Lagrangian, particle based
modeling method, which uses the particles as interpolation points to
discretize and solve flow and transport equations in the porous media.
SPH’s Lagrangian framework allows for easy implementation of complex
chemistry and physics at interfaces and is able to easily model
complex geometries such as the porous microstructures considered in
this work. In the presentation I will discuss the application of the
pore-scale model to two different reactive transport problems; one in
the electrodes of high temperature fuel cells and the other in the
porous subsurface. The pore-scale reactive transport model has been
used to investigate degradation in the air electrode of high
temperature fuel cells to understand the physical mechanisms behind
degradation. The pore-scale model has also been applied to the
reactive transport of contaminants in the subsurface, such as
hexavalent uranium at the DOE’s Hanford site. The model has been used
to investigate the effects of Damköhler and Peclet number on reactive
transport in the subsurface and the use of a hybrid model in
fractured, porous media to investigate the accuracy of Darcy-scale
models in predicting mass and species distributions in a reactive

Dr. Ryan is a computational scientist in the Computational Mathematic
and Engineering group at Pacific Northwest National Laboratory. She
received her Ph.D. in mechanical engineering from Carnegie Mellon
University in 2009. Dr. Ryan’s dissertation research focused on
numerical modeling of chromium poisoning in the cathode of a solid
oxide fuel cell. Dr. Ryan has worked at PNNL since 2007 where her
research has focused on computational modeling of energy systems at
the meso-scale. Her work has included degradation modeling of solid
oxide fuel cells, reactive transport of radioactive material in the
subsurface and multi-scale modeling of carbon capture technologies.

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