2012 AIChE Annual Meeting

Session: Multiscale and Molecular Modeling for Renewable Energy Systems

Chair

Jim Pfaendtner, University of Washington

Presentations

03:15 PM

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

03:45 PM

(574b) Theoretical Calculations On Fullerene Derivatives
Adam J. Moulé, Varuni Dantanarayana

04:03 PM

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

04:21 PM

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

04:39 PM

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

04:57 PM

(574f) Adsorption of Model Peptides and the Carbohydrate Binding Module: An Enhanced Sampling Molecular Dynamics Study
Michael Deighan, Jim Pfaendtner, Peter Englund

05:15 PM

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