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Publications
Proceedings
2012 AIChE Annual Meeting
Computing and Systems Technology Division
Multiscale Modeling: Methods and Applications
2012 AIChE Annual Meeting
Session: Multiscale Modeling: Methods and Applications
Co-Chair
Ubaldo Cordova
, University of Puerto Rico at Mayagüez
Presentations
03:15 PM
(362a) Atomistic/Molecular Scale Integration of Polymer/Solid Surface Interaction Models
Robert L. Smith, Lorenz T. Biegler, Myung S. Jhon
03:35 PM
(362b) Multiscale Models for Characterizing the Pore Structure of Biochars
Hao Sun, Caroline A. Masiello
03:55 PM
(362c) Modeling of Globular Protein Crystal Growth Via Kinetic Monte Carlo Simulations
Gerassimos Orkoulas
04:15 PM
(362d) First Principles Modeling of Atomic Layer Deposition (ALD) Surface Reaction and Process Dynamics Using Absolute Reaction Rate Theory
Curtisha D. Travis, Raymond A. Adomaitis
04:35 PM
(362e) Multiscale Modelling of Backspillover Processes in Electrochemically Promoted Systems
Ioannis Bonis, Constantinos Theodoropoulos
04:55 PM
(362f) Accelerated Kinetic Monte Carlo (KMC) Algorithm for off-Lattice Particle- Based Reaction-Diffusion Systems
Paulette Clancy
05:15 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, Deb Agarwal, Ian Gorton
