362 Multiscale Modeling: Methods and Applications

Tuesday, October 30, 2012: 3:15 PM
327 (Convention Center )
Description:
Many problems in chemical engineering are governed by time and length scales that differ by several orders of magnitude. Bridging these scales with integrated, multi-scale models is a challenging problem. Papers are solicited on novel, integrated multi-scale modeling methods with emphasis on discussion of algorithmic details and applications in chemical and biological engineering.

Sponsor:
Applied Mathematics and Numerical Analysis

Chair:
Panagiotis Dimitrakopoulos
Email: dimitrak@umd.edu

Co-Chair:
Ubaldo Cordova
Email: ubaldom.cordova@upr.edu


3:15 PM
(362a) Atomistic/Molecular Scale Integration of Polymer/Solid Surface Interaction Models
Robert L. Smith, Lorenz T. Biegler and Myung S. Jhon

3:35 PM
(362b) Multiscale Models for Characterizing the Pore Structure of Biochars
Hao Sun, Caroline A. Masiello and Kyriacos Zygourakis

3:55 PM
(362c) Modeling of Globular Protein Crystal Growth Via Kinetic Monte Carlo Simulations
Michael Nayhouse, Panagiotis D. Christofides, Gerassimos Orkoulas and Sangil Kwon

4:15 PM
(362d) First Principles Modeling of Atomic Layer Deposition (ALD) Surface Reaction and Process Dynamics Using Absolute Reaction Rate Theory
Curtisha D. Travis and Raymond A. Adomaitis

4:35 PM
(362e) Multiscale Modelling of Backspillover Processes in Electrochemically Promoted Systems
Ioannis S. Fragkopoulos, Ioannis Bonis and Constantinos Theodoropoulos

4:55 PM
(362f) Accelerated Kinetic Monte Carlo (KMC) Algorithm for off-Lattice Particle- Based Reaction-Diffusion Systems
Vikram Thapar and Paulette Clancy

5:15 PM
(362g) Enforcing Elemental Mass and Energy Balances for Reduced Order Models Generated From CFD Simulations
Jinliang Ma, Christopher J. Montgomery, Khushbu Agarwal, Poorva Sharma, Yi-dong Lang, David E. Huckaby, Stephen E. Zitney, Ian Gorton, Deb Agarwal and David C. Miller
See more of this Group/Topical: Computing and Systems Technology Division
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