ISCRE 21
21st International Symposium on Chemical Reaction Engineering
Sunday June 13th - Wednesday June 16th, 2010
Loews Philadelphia Hotel, Philadelphia, PA, USA
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CRE: Addressing resource sustainability, environmental and life science challenges
Poster Group #6: Computational Catalysis and Rational Design of Catalysts
Time: Mon. June 14, 4:00 - 6:00 PM
Location: Millennium Hall
Session Chair(s): James Lattner
| Poster # | Title & Authors |
| 42 | "First Principle Investigation of O2 Adsorption on the LaMnO3 (001) Surface", Zhi Guo Yan, Hui Wang, Ai Guo Xuan, Qi Ming Chen, Liang Jun Zhang, Yuan Xin Wu‡ (Abstract 107) |
| 43 | "A First Principles Analysis of the Influence of Oxygen and Alkalinity on the Selective Oxidation of Ethanol Over Pd(111)", David Hibbitts‡, Matthew Neurock (Abstract 162) |
| 44 | "A First Principles Analysis of Methanol Dehydration Over WOx/ZrO2", Hui Xu‡, Matthew Neurock (Abstract 233) |
| 45 | "Metal-Organic Frameworks as Oxidation Catalysts: Are Metals in the Framework Catalytically Active?", Patrick Ryan‡, Linda J. Broadbelt, Randall Q. Snurr (Abstract 14) |
| 46 | "Weighted Optimal Combination of Neural Networks for Catalyst Design and Evaluation", Viswanathan Arcotumapathy‡, Adesoji Adediran Adesina (Abstract 110) |
| 47 | "Direct Synthesis of Propene Using Supported Bifunctional Nickel Catalysts: Preparation and Potential", Volker Zahn, Tanya Wolff, Tino Lehmann, Christof Hamel‡, Andreas Seidel-Morgenstern (Abstract 125) |
| 48 | "Synthesis of Supported Aluminum Chloride and Chloroaluminate Ionic Liquid Catalyst for Alkylation of Benzene", Rakesh Kumar‡, Anil Kumar, Ashok Khanna (Abstract 152) |
| 49 | "Impregnation and Drying of Supported Metal Catalysts: Modelling in Pore-Scale", Vladimir Novak, Frantisek Stepanek, Petr Koci‡, Andreas Kogelbauer, Milos Marek (Abstract 332) |
| 50 | "A High-Throughput Computational Approach for Catalyst Optimization", George Fitzgerald‡, Jacob Gavartin, Gerhard Goldbeck-Wood (Abstract 335) |