Multiscale Modeling I

Monday, October 17, 2011: 8:30 AM
Conrad D (Hilton Minneapolis)

Description:
Many interesting phenomena involve processes that span multiple characteristic length and/or time scales. Multiscale modeling has emerged as a valuable methodology for developing analytical and computational models that describe the interplay between different scales. As such, multiscale modeling techniques are important in guiding catalyst and reactor design. Both fundamental and applied papers are invited. Especially encouraged are papers on the development, analysis or use of new analytical and computational methods that allow bridging multiple length and/or time scales. Also papers related to technological applications in the areas of (bio)catalysis and reaction engineering, reactor design, (bio)materials and related areas are solicited.


Sponsor:
Catalysis and Reaction Engineering Division
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)


Chair:
Marc-Olivier Coppens
Email: coppens@rpi.edu

Co-chairs:
Erik E. Santiso
Email: esantiso@mit.edu

Daniel A. Hickman
Email: dahickman@dow.com

- indicates paper has an Extended Abstract file available on CD.



8:30 AM
(37a) Mechanistic Study of Methane Hydrate Nucleation Under Realistic Conditions
Brandon C. Knott, Michael F. Doherty and Baron Peters


8:48 AM


9:06 AM
(37c) Coarse-Graining Proteins Using Relative Entropy Theory
M. Scott Shell, Scott Carmichael and Aviel Chaimovich





10:18 AM
(37g) Moment Closure for Chemical Reactions
Yiannis Kaznessis and Fatemeh Ghasemi


10:36 AM
(37h) Multiscale Analysis and Simulation of Bubbly Flow
Ning Yang, Zongying Wu, Jianhua Chen and Jinghai Li
See more of this Group/Topical: Catalysis and Reaction Engineering Division