2012 AIChE Annual Meeting

Session: Multiscale and Molecular Modeling for Renewable Energy Systems

Chair

Pfaendtner, J., University of Washington

Presentations

03:15 PM

(574a) Morphological Studies of Conjugated Polymer Based Materials Using Coarse-Grained Molecular Simulations [Invited Talk]
Jayaraman, A.

03:45 PM

(574b) Theoretical Calculations On Fullerene Derivatives
Moulé, A. J., Dantanarayana, V.

04:03 PM

(574c) Heat Transfer Characteristics of a Nanofluid within a Heated Lid-Driven Cavity Using Multiscale Modeling Techniques
Shelton, J., Higgs, C. F. III

04:21 PM

(574d) Identification of Molecular-Level Contributions to Processivity in Glycoside Hydrolases From Computational and Experimental Studies of Serratia Marcescens Chitinases
Payne, C. M., Vaaje-Kolstad, G., Eijsink, V., Sørlie, M.

04:39 PM

(574e) Multiscale Modeling of Cellulose Unzipping in Ionic Liquids
Ismail, A. E.

04:57 PM

(574f) Adsorption of Model Peptides and the Carbohydrate Binding Module: An Enhanced Sampling Molecular Dynamics Study
Deighan, M., Pfaendtner, J., Englund, P.

05:15 PM

(574g) Free Energy of Desorption of Cello-Oligosaccharides From a Cellulose Crystal Surface