Kinetics and reaction environments

Thursday, June 18, 2015: 1:30 PM-3:10 PM
408-410 (Lawrence Convention Center)
Lars C. Grabow, University of Houston, USA.
1:30 PM
Degree of Rate Control Approach to Computational Catalyst Screening
Charles T. Campbell, University of Washington, USA.
1:50 PM
The Optimally Performing Fischer-Tropsch Catalyst
Ivo A.W. Filot, Rutger A. van Santen and Emiel J.M. Hensen, Eindhoven University of Technology, Netherlands.
2:10 PM
Computational Catalysis Under Reaction Conditions: Spontaneous Formation of Cobalt Nano-Islands and Kinetic Role of Hydroxyl Groups during Fischer Tropsch Synthesis
Arghya Banerjee1, G. T. Kasun Kalhara Gunasooriya2 and Mark Saeys2, (1)National University of Singapore, Singapore, (2)Ghent University, Belgium.
2:30 PM
Exploring New Frontiers in Modeling Complex Zeolite-Catalyzed Reactions Using Advanced Molecular Dynamics Techniques
Kristof De Wispelaere1, Bernd Ensing2, An Ghysels1, Evert Jan Meijer2 and Veronique Van Speybroeck1, (1)Ghent University, Belgium, (2)University of Amsterdam, Netherlands.
2:50 PM
Effects of Carbon Monoxide Coverage on Syngas to Ethanol Conversion
Anuradha Gundamaraju, CLEMSON UNIVERSITY, USA and David A. Bruce, Clemson University, USA.
See more of: Catalyst Modelling and Simulation
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