This preliminary program is subject to change.

Multiscale Modeling I


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
Professor and Associate Director of Multiscale Science & Engineering Center
Rensselaer Polytechnic Institute
Chemical & Biological Engineering
110 8th Street
Troy, NY 12180
Phone Number: 518-276-2671
Email: coppens@rpi.edu

Co-Chair:
Daniel A. Hickman
Research Leader
The Dow Chemical Company
Engineering & Process Sciences
1776 Building
Midland, MI 48674
Fax Number: 989-638-9674
Email: dahickman@dow.com


Papers:
Solvation Structure of Ions in Model Disordered Carbon Electrodes
Katherine A. Phillips, North Carolina State University; Jeremy C. Palmer, Princeton University; Keith E. Gubbins, North Carolina State University
Catalytic Partial Oxidation of Methane On Platinum Investigated by Spatial Reactor Profiles, Spatially Resolved Spectroscopy, and Microkinetic Modeling
Oliver Korup, Fritz Haber Institute of the Max Planck Society; Claude Franklin Goldsmith, Fritz Haber Institute of the Max Planck Society; Gisela Weinberg, Fritz Haber Institute of the Max Planck Society; Michael Geske, Fritz Haber Institute of the Max Planck Society; Timur Kandemir, Fritz Haber Institute of the Max Planck Society; Robert Schlögl, Fritz Haber Institute of the Max Planck Society; Raimund Horn, Fritz Haber Institute of the Max Planck Society
Multiscale Modeling of the Shock Compression of Energetic Materials Using Constant Energy Dissipative Particle Dynamics
Joshua D. Moore, U.S. Army Research Laboratory; Sergei Izvekov, U.S. Army Research Laboratory; Martin Lisal, Academy of Sciences of the Czech Republic; John K. Brennan, U.S. Army Research Laboratory
Reaction-Diffusion Model of Multi-Component Parallel Reaction in Methanol Synthesis Catalyst and Optimization of the Size of Catalyst Particle
Tao Li, East China University of Science and Technology; Hui Han, East China University of Science and Technology; Haitao Zhang, East China University of Science and Technology; Dingye Fang, East China University of Science and Technoligy; Weiyong Ying, East China University of Science and Technology
A Multi-Scale Framework for CFD Modeling of Multi-Phase Complex Systems Based On the EMMS Approach
Ning Yang, Institute of Process Engineering, Chinese Academy of Sciences; Jinghai Li, Institute of Process Engineering, Chinese Academy of Sciences
CFD Analysis of the Effect of Baffles On the Fluid Flow and Heat Transfer Inside the Shell of Cross-Flow Fixed Bed Reactor
Yingzhe Yu, Tianjin University; Yonghui Li, Tianjin University; Lu Bai, Tianjin University; Xiuqin Dong, Tianjin University; Minhua Zhang, Tianjin University
See more of this Group/Topical: Catalysis and Reaction Engineering Division