Model-Based Design of Single-Site Olefin Polymerization Catalysts
W. Nicholas Delgass1, James M. Caruthers1, Mahdi Abu-Omar2, Kendall T. Thomson1, Venkat Venkatasubramanian1, Gary E. Blau1, Khamphee Phomphrai2, Grigori Medvedev1, Corneliu Stanciu2, Shalini Sharma2, Thomas A. Manz1, Jesmin Haq1, Krista A. Novstrup1 and Balachandra B. Krishnamurthy1, (1)School of Chemical Engineering, Purdue University, 480 Stadium Mall Drive, West Lafayette, IN 47907-2100, (2)Chemistry Department, Purdue University, 560 Oval Drive, West Lafayette, IN 47907 |
Multiscale Model-Based Design of Experiments and Catalysts
Dionisios G. Vlachos, Department of Chemical Engineering, University of Delaware, 150 Academy Street, Newark, DE 19716 |
Rational Design Supplemented by Serendipitous Discovery – Highly Active and Enantioselective Support-Tethered Co(III)-Salen Complexes for the Hydrolytic Kinetic Resolution of Epoxides
Xiaolai Zheng1, Nam T. S. Phan2, Marcus Weck3 and Christopher W. Jones2, (1)Chemical & Biomolecular Engineering, Georgia Institute of Technology, Chemistry and Biochemistry, 311 Ferst Dr., Atlanta, GA 30332, (2)Chemical & Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Dr., Atlanta, GA 30332, (3)Chemistry and Biochemistry, Georgia Institute of Technology, 770 State St., Atlanta, GA 30332 |
Grafted Calixarenes for Rational Design of Catalysts and Adsorbents
Justin Notestein, Andrew Solovyov, Namal De Silva, Enrique Iglesia and Alexander Katz, Department of Chemical Engineering, University of California at Berkeley, Berkeley, CA 94720-1462 |
Electrostatic “Nano-Engineering” of Promoted and Bimetallic Catalysts
Yuhui Zha, Lawrence D'Souza and John Regalbuto, U. Illinois at Chicago, 810 S. Clinton, Chicago, IL 60607 |
Combined Group Contribution and Structure-Activity Relations for Ga/H-[Al]Zsm-5 Catalyzed Dehydrogenation of Alkanes Using Density Functional Theory
Yogesh V. Joshi and Kendall T. Thomson, School of Chemical Engineering, Purdue University, 480 Stadium Mall Dr FRNY, West Lafayette, IN 47907 |
A Novel Computational Framework for the Rational Design of Shape Selective Separation and Catalysis
Chrysanthos E. Gounaris, Christodoulos A. Floudas and James Wei, Chemical Engineering, Princeton University, Princeton, NJ 08544 |
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