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