2020 Virtual AIChE Annual Meeting

Session: Reaction Path Analysis

Chair

Wong, H. W., University of Massachusetts Lowell

Co-Chair

Presentations

08:00 AM

(653a) Rhodium Single-Atoms Vs. Nanoclusters on Titania for Reverse Water Gas Shift Reaction: A First-Principles Study
Doherty, F., Goldsmith, B.

08:15 AM

(653b) Elucidating the Influence of Electric Fields Toward CO2 Activation on YSZ(111)
Ulumuddin, N., Yang, J. I., Ha, S., McEwen, J. S.

08:30 AM

(653c) Strong Influence of the Nucleophile on the Rate and Selectivity of 1,2-Epoxyoctane Ring-Opening Catalyzed By Tris(pentafluorophenyl)Borane
Bennett, C., Bhagat, M., Raghuraman, A., Belowich, M., Nguyen, S., Broadbelt, L., Yu, Y., Notestein, J.

08:45 AM

(653d) Leveraging Disparate Experimental and Ab Initio Data to Model the Reaction Network of CO2 Upgrading to C1 Products
Rangarajan, S., Tian, H.

09:00 AM

(653e) Computational Analysis of Aldol Condensation and Fission Reactions on Solid Acid Catalysts
Bai, P., Malviya, S., Jentoft, F., Ponnuru, K.

09:15 AM

(653f) Automatic Mechanism Generation Using Rmg, Linear Scaling Relationships, and Sensitivity Analyses Applied to the Catalytic Partial Oxidation of Methane
Mazeau, E., Blondal, K., Goldsmith, C. F., West, R. H.

09:30 AM

(653g) Graph Theory Applied to Plasma Chemical Reaction Engineering
Holmes, T. D., Rothman, R., Zimmerman, W. B.

09:45 AM

(653h) Temporal Analysis of Products Study of Ethanol Dehydrogenation As a Decisive Reaction Step for Iso-Butanol Production
Pasel, J., Häusler, J., Schmitt, D., Besmehn, A., Meledina, M., Peters, R.