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April 2008


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"Mayuresh V. Kothare" <[log in to unmask]>
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Mayuresh V. Kothare
Tue, 22 Apr 2008 10:06:02 -0400
text/plain (103 lines)
WebCAST seminar entitled:

"Multiscale Modeling and its Application to Catalyst Design and Portable
Power Generation"

Professor Dion G. Vlachos
Department of Chemical Engineering,
Center for Catalytic Science and Technology
University of Delaware, Newark, DE 19716-3110

Date: April 24, 2008, 2-4 pm (EST)
Dial-in from the comfort of your office to hear the presentation
Registrations accepted until tonight, April 22, 2008.


Multiscale simulation is emerging as a new scientific field in chemical,
materials, and biological sciences.
The idea of multiscale modeling is straightforward: one computes
information at a smaller (finer) scale and
passes it to a model at a larger (coarser) scale by leaving out degrees
of freedom as one moves from finer to
coarser scales. The obvious goal of multiscale modeling is to predict
macroscopic behavior of an engineering
process from first principles (bottom-up approach). However, the
emerging fields of nanotechnology and
biotechnology impose new challenges and opportunities (top-down). For
example, the miniaturization of
microchemical systems for portable and distributed power generation
imposes new challenges and opportunities
than the conventional scaling up chemical engineers have worked on.

In this talk, I will describe the development of multiscale models for
catalytic reactors with a focus on
small-scale hydrogen production. Limitations in model development,
including multi-level uncertainty,
will be discussed. A new multiscale and informatics-based framework
will be presented for design of experiments
(DOE) in order to enable model assessment and parameter refinement. The
framework is designed to overcome
uncertainties by allowing experimental data injection into multiscale
models. Finally, I will discuss how one could
use these models to enable both catalyst design and microsystem
optimization for portable and distributed power generation.

Bio-Sketch:Dion Vlachos:
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Dion Vlachos is a Professor at the Department of Chemical Engineering at
the University
of Delaware since 2003. He is currently an associate director of the
Center for Catalytic
Science and Technology. Dion obtained a five years diploma in Chemical
Engineering from
the National Technical Univ. of Athens, in Greece, in 1987. He obtained
his MS and Ph.D.
from the University of Minnesota in 1990 and 1992, respectively, and
spent a postdoctoral year
at the Army High Performance Computing Research Center, MN, after
which he joined UMass
as an Assistant Professor. He was promoted to an associate professor
at UMass in 1998. Dion
was a Visiting Fellow at Princeton University in the spring of 2000, a
visiting faculty at Thomas
Jefferson Univ. and Hospital in spring of 2007 and the George Pierce
Distinguished Prof. of
Chemical Engineering and Materials Science at the Univ. of Minnesota in
the fall of 2007.

Dion is the recipient of an ONR Young Investigator Award, a NSF Career
Award, a Junior
Faculty Award, and the Best Advisor Award (twice). He is a member of
the American Institute
of Chemical Engineers, American Chemical Society, The Combustion
Institute, The Catalysis
Society, and SIAM. His main research thrust is multiscale modeling and
simulation along with
their application to catalysis and portable microchemical devices for
power generation, nucleation
and growth of nanomaterials, microporous thin films, and molecular cell
biology. He is the
corresponding author of more than 160 refereed publications and has
given more than 120
invited talks (plenary lectures, keynote lectures, etc.).

Mayuresh V. Kothare
R. L. McCann Associate Professor
Chemical Process Modeling and Control Research Center
Department of Chemical Engineering
Lehigh University, D322 Iacocca Hall
111 Research Drive, Bethlehem, PA 18015, U.S.A.
Tel: (610) 758 6654; Fax: (610) 758 5057
e-mail: [log in to unmask]