Confluence of Experimental and Theoretical Methods | AIChE

Other Sites & Tools

Technical Groups

Confluence of Experimental and Theoretical Methods

Chair(s)

Cybulskis, V., Syracuse University

Co-chair(s)

McEwen, J. S., Washington State University

The integration of experimental tools with theoretical methods can provide powerful new insight into catalytic chemistry for the design of improved materials by predicting how catalyst structures and reaction environments will influence reactivity and selectivity. The focus of this session is to highlight recent advancements in catalysis that have resulted from the coupling of state-of-the-art approaches in computational modeling and experimental techniques.

Presentations

8:00 AM
(632a) How Advancements in Theory and Experiment Enabled the Synthesis of the First Enantiomerically Enriched, Polycrystalline Molecular Sieve
8:00 AM
(632g) Combining Experiment and Theory to Elucidate the Active Site and Catalytic Behavior of Aqueous-Phase Sugar Isomerization in Hydrophobic and Hydrophilic Lewis Acid Zeolites
8:40 AM
(632b) Spectroscopic and Kinetic Assessment of Brønsted Acid Site Proximity in Chabazite Zeolites
9:00 AM
(632c) Kinetic Investigations of Carbonyl Reduction over Group VIII Metals: Acetone Hydrogenation
9:20 AM
(632d) Hydrodeoxygenation of Phenolics at Solvent-Metal Interfaces: Enabling New Catalytic Pathways By Modifying the Reactive Hydrogen Species
9:40 AM
(632e) Dehydroaromatization of Ethylene over Metal-Exchanged H-ZSM-5 Catalysts: The Nature and Role of (Extra)Framework Acid Sites
10:00 AM
(632f) Not All Hydrogens Are Created Equal: Theoretical and Experimental Insight into How Protons and Hydrides Steer Different Hydrogenation Rates for Alkynes and O2 over Au/TiO2

Topics 

Catalysis

Checkout

Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings.

Checkout

Do you already own this?

Pricing

Individuals

AIChE Pro Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

More Conference Links