2014 AIChE Annual Meeting

Session: Multiscale and Molecular Modeling for Renewable Energy Systems

Contributions discussing multiscale and molecular modeling for renewable energy systems

Chair

Palmer, J. C., Princeton University

Co-Chair

Pfaendtner, J., University of Washington

Presentations

03:15 PM

(731a) Restraint-Free Coarse-Grain Modeling of a Crystalline Cellulose Fibril Based on Force Matching
Markutsya, S., Devarajan, A., Gordon, M. S., Windus, T. L., Lamm, M. H.

03:35 PM

(731b) Ligand Binding Dynamics and Directionality in Cellulomonas Fimi Family 4 Carbohydrate Binding Modules
Kognole, A. A., Payne, C. M.

03:55 PM

(731c) Understanding the Interactions of N-Methylmorpholine N-Oxide with Cellulose
Rabideau, B. D., Ismail, A. E.

04:15 PM

(731d) Transport of Pyrolysis Fragments in Cellulose – a Molecular Dynamics Study
Mohammad, A. S., Murillo, J. D., Biernacki, J. J., Northrup, S.

04:35 PM

(731e) A Comparison of Coarse-Graining Approaches for Modeling Morphology in Push-Pull Polymers
Jankowski, E., Olson, D.

04:55 PM

(731f) Molecular Properties for Renewable Energy Materials from Big Data
Hachmann, J.

05:15 PM

(731g) Strategies Toward Enhanced Low-Pressure Volumetric Hydrogen Storage in Nanoporous Cryoadsorbents
Ahmed, A., Thornton, A. W., Konstas, K., Kannam, S. K., Babarao, R., Todd, B. D., Hill, A. J., Hill, M. R.