2012 AIChE Annual Meeting

Session: Multiscale Modeling: Methods and Applications

Co-Chair

Cordova, U., University of Puerto Rico at Mayagüez

Presentations

03:15 PM

(362a) Atomistic/Molecular Scale Integration of Polymer/Solid Surface Interaction Models
Smith, R. L., Biegler, L. T., Jhon, M. S.

03:35 PM

(362b) Multiscale Models for Characterizing the Pore Structure of Biochars
Sun, H., Masiello, C. A.

03:55 PM

(362c) Modeling of Globular Protein Crystal Growth Via Kinetic Monte Carlo Simulations
Orkoulas, G.

04:15 PM

(362d) First Principles Modeling of Atomic Layer Deposition (ALD) Surface Reaction and Process Dynamics Using Absolute Reaction Rate Theory
Travis, C. D., Adomaitis, R. A.

04:35 PM

(362e) Multiscale Modelling of Backspillover Processes in Electrochemically Promoted Systems
Bonis, I., Theodoropoulos, C.

04:55 PM

(362f) Accelerated Kinetic Monte Carlo (KMC) Algorithm for off-Lattice Particle- Based Reaction-Diffusion Systems
Clancy, P.

05:15 PM

(362g) Enforcing Elemental Mass and Energy Balances for Reduced Order Models Generated From CFD Simulations
Ma, J., Montgomery, C. J., Agarwal, K., Sharma, P., Lang, Y. D., Huckaby, D. E., Zitney, S. E., Agarwal, D., Gorton, I.