522 Multi-Scale Modeling


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. Submitted papers may be in the area of molecular-based multiscale modeling (e.g., enhanced sampling or coarse-graining) or have a focus on bridging larger length and timescales.

Sponsor:
Catalysis and Reaction Engineering Division


Chair:
Andrew J Adamczyk
Auburn University
Chemical Engineering
Auburn, AL
Phone Number: 3348444720
Email: aja0056@auburn.edu

Co-chairs:
Hari Nair
Senior Engineer
Exxon Mobil
Chemical Process Research
Baytown Technology and Engineering Complex
Baytown, TX
77520
Email: hari.nair@exxonmobil.com

Josh Allen
Exxon Mobil

Email: joshua.w.allen@exxonmobil.com


Papers:
Extracting Transport Independent Kinetics for Vapor Phase Upgrading of Biomass Pyrolsis Vapors over H-ZSM-5
Vivek Bharadwaj, NREL; Brennan Pecha, NREL; Anne Starace, NREL; Calvin Mukarakate, National Renewable Energy Laboratory; Peter N. Ciesielski, Vanderbilt University
Three-Scale Coarse-Grained Continuum Model for Real Time Simulations of Catalytic Reactors
Ram R. Ratnakar, Shell International Exploration and Production Inc.; Vemuri Balakotaiah, University of Houston
Resolved-Pore CFD Simulation of CO Oxidation in a Catalyst Layer
Behnam Partopour, Worcester Polytechnic Institute; Anthony G. Dixon, Worcester Polytechnic Institute
Experiments and Modeling for Enhanced Transport in SCR and Ammonia Slip Catalysts
Pritpal Singh Dhillon, University of Houston; Michael Harold, University of Houston; Ashok Kumar, Cummins Inc.; Saurabh Y. Joshi, Cummins Inc.; Di Wang, Cummins Inc.
CFD Simulation of a Bench Scale Fixed Bed Fischer-Tropsch Synthesis Reactor
Jianqi Shen, University of South Africa; Xinying Liu, University of South Africa; Wei Hua Ho, University of South Africa; Diane Hildebrandt, University of South Africa
Abstract Submissions Closed
See more of this Group/Topical: Catalysis and Reaction Engineering Division