101 Rational Catalyst Design I


Description:
Rational catalyst design has the potential to speed up the discovery of new materials with tailored properties and eventually eliminate trial-and-error testing. The identification of relevant descriptors, screening methods, and the development of structure-property relationships are just a few examples that illustrate these efforts. This session welcomes contributions that describe experimental or theoretical methods that aim to enable the rational design catalytic materials with improved activity, selectivity, stability, or poison resistance. Section I of Rational Catalyst Design focuses on the rational design of catalyst active sites and their surrounding environments to achieve improved activity, selectivity, or stability.

Sponsor:
Catalysis and Reaction Engineering Division


Chair:
Adam Holewinski
Assistant Professor
University of Colorado Boulder
Chemical and Biological Engineering
3074 H. H. Dow Building
Boulder, CO
48109
Email: adam.holewinski@colorado.edu

Co-Chair:
Jean-Sabin McEwen
Assistant Professor
Washington State University
The Gene and Linda Voiland School of Chemical Engineering and Bioengineering
Pullman, WA
99164
Email: js.mcewen@wsu.edu


Papers:
101a
Earth Abundant Perovskite Oxides for Low Temperature CO2 Conversion
Debtanu Maiti, University of South Florida; Bryan J. Hare, University of South Florida; Adela E. Ramos, University of South Florida; Yolanda A. Daza, University of South Florida; John N. Kuhn, University of South Florida; Venkat R. Bhethanabotla, University of South Florida
101b
Rationalizing the Reactivity of Bimetallic Molecular Catalysts for CO2 Hydrogenation
Jingyun Ye, University of Minnesota; Ryan C. Cammarota, University of Minnesota; Jing Xie, University of Minnesota; Matthew Vollmer, University of Minnesota; Laura Gagliardi, University of Minnesota; Connie C. Lu, University of Minnesota; Christopher Cramer, University of Minnesota; Donald G. Truhlar, University of Minnesota
101c
Physical Descriptors That Control Metal-Support Interactions Identified with DFT and Statistical Learning
Thomas P. Senftle, Rice University
101d
Examining Acid Formation during the Selective Dehydration of Fructose to 5-Hydroxymethylfurfural in DMSO and Water
Mariah Whitaker, The Ohio State University; Aamena Parulkar, The Ohio State University; Rutuja Joshi, The Ohio State University; Nicholas Brunelli, The Ohio State University
101e
Does Hydrophobic Modification of Solid Acid Catalysts Promote Water Tolerance during Condensed Phase Catalytic Reactions of Oxygenates?
William Elliott, The Pennsylvania State University; Yanyu Mu, Pennsylvania State University; Isabel Burgos, Pennsylvania State University; Joann Sutyak, Pennsylvania State University; Robert M. Rioux, The Pennsylvania State University
101f
Designing Immobilized Tertiary Amine Catalysts for Selective Isomerization of Glucose to Fructose
Nitish Deshpande, The Ohio State University; Lagnajit Pattanaik, The Ohio State University; Mariah Whitaker, The Ohio State University; Chi-Ta Yang, The Ohio State University; Li-Chiang Lin, The Ohio State University; Nicholas Brunelli, The Ohio State University
101g
Supported Gold Clusters with Modulated Environment for Catalysis
Nidhi Kapil, University College London; Michael M. Nigra, The University of Utah; Marc-Olivier Coppens, University College London
Abstract Submissions Closed
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