Multiscale and Molecular Modeling for Renewable Energy Systems | AIChE

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Multiscale and Molecular Modeling for Renewable Energy Systems

Chair(s)

Pfaendtner, J., University of Washington

Co-chair(s)

Payne, C. M., University of Kentucky

Contributions discussing multiscale and molecular modeling for renewable energy systems

Presentations

3:15 PM
(557a) Materials-Scale Implications of Solvent and Temperature On [6,6]-Phenyl-C61-Butyric Acid Methyl Ester (PCBM): A Theoretical Perspective
3:35 PM
(557b) Optimizing the Fabrication of All-Organic Solar Cells: A Kinetic Monte Carlo Study of Fullerene Adsorption in Phthalocyanine-Based Covalent Organic Frameworks
3:55 PM
(557c) Insights Into Ionic Liquids Pretreatment On Lignocellulosic Biomass From Molecular Modeling Studies
4:15 PM
(557d) Deriving Coarse-Grained Models for Crystalline Cellulose Based On Force Matching
4:35 PM
(557e) Breaking Down Cellulose – the Catalytic Mechanism of a Key Cellulase Elucidated By Path Sampling
4:55 PM
(557f) Cellulase Peripheral Loops Facilitate Complexation On Cellulose Via Whole-Path Stabilization
5:15 PM
(557g) Isomerization and Epimerization of Sugars Using Homogeneous and Heterogeneous Catalysts in Aqueous Media: A Multiscale Molecular Modeling Investigation

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AIChE Pro Members $150.00
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AIChE Explorer Members $225.00
Non-Members $225.00

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