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WebCAST seminar entitled:

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

By
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. 
http://www.castdiv.org/WebCAST.htm)


Abstract


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:
[log in to unmask]
www.che.udel.edu/vlachos


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]
URL: http://www.lehigh.edu/~mvk2