WebCAST seminar entitled:
"Multiscale Modeling and its Application to Catalyst Design and Portable
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
Deadline to Register: April 20, 2008 (details at
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.
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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 (2008 WebCAST chair)
R. L. McCann Associate Professor
Chemical Process Modeling and Control Research Center
Department of Chemical Engineering
Lehigh University, 111 Research Drive
Bethlehem, PA 18015, U.S.A.
Office: D322 Iacocca Hall
Tel: (610) 758 6654, Fax: (610) 758 5057
e-mail: [log in to unmask]