2006 AIChE Annual Meeting

Session: Rational Catalyst Design II

TBA

Chair

James A. Dumesic, University of Wisconsin-Madison

Co-Chair

Manos Mavrikakis, University of Wisconsin-Madison

Presentations

03:15 PM

(461a) Model-Based Design of Single-Site Olefin Polymerization Catalysts
W. Nicholas Delgass, James M. Caruthers, Mahdi Abu-Omar, Kendall T. Thomson, Venkat Venkatasubramanian, Gary E. Blau, Khamphee Phomphrai, Grigori Medvedev, Corneliu Stanciu, Shalini Sharma, Thomas A. Manz, Jesmin Haq, K. Novstrup, Balachandra B. Krishnamurthy

03:36 PM

(461b) Multiscale Model-Based Design of Experiments and Catalysts
Dionisios G. Vlachos

03:57 PM

(461c) Rational Design Supplemented by Serendipitous Discovery – Highly Active and Enantioselective Support-Tethered Co(III)-Salen Complexes for the Hydrolytic Kinetic Resolution of Epoxides
Xiaolai Zheng, Nam T. S. Phan, Marcus Weck, Christopher Jones

04:18 PM

(461d) Grafted Calixarenes for Rational Design of Catalysts and Adsorbents
Justin Notestein, Andrew Solovyov, Namal De Silva, Enrique Iglesia, Alexander Katz

04:39 PM

(461e) Electrostatic “Nano-Engineering” of Promoted and Bimetallic Catalysts
Yuhui Zha, Warren D. D'Souza, JOhn Regalbuto

05:00 PM

(461f) Combined Group Contribution and Structure-Activity Relations for Ga/H-[Al]Zsm-5 Catalyzed Dehydrogenation of Alkanes Using Density Functional Theory
Yogesh V. Joshi, Kendall T. Thomson

05:21 PM

(461g) A Novel Computational Framework for the Rational Design of Shape Selective Separation and Catalysis
Chrysanthos E. Gounaris, Christodoulos A. Floudas, James Wei