2024 AIChE Annual Meeting

Session: Catalytic Upcycling of Waste Plastics III: Modeling and catalyst design strategies

Chair

Jain, D., Clariant Corporation

Co-Chairs

Alexopoulos, K., University of Delaware

Presentations

03:30 PM

(388a) Polyolefin Melt-Phase Effects on Alkane Hydrogenolysis over Pt Catalysts
Zare, M., Heyden, A.

03:48 PM

(388b) Understanding the Free Energy Landscape for Catalytic Conversion of Polyethylene Waste to Liquid Fuels Via Hydrogenolysis
Lee, E.

04:06 PM

(388c) Understanding Hydrogenolysis Activity and Binding Strength of Aromatic and Naphthene Model Compounds on Iridium and Ruthenium Surfaces during Polystyrene Upcycling
Simonson, A., Phillips, E., Hibbitts, D.

04:24 PM

(388d) Multiscale and Particle-Size Modeling of Hydrogenolysis of Light Hydrocarbons on Pt Catalysts: Implication for Plastics Upcycling
Bello, M., Bamidele, O., Yang, W., Heyden, A.

04:42 PM

(388e) Importance of Nanometer-Scale Bifunctional Interactions in Metathesis-Based Strategies for Polyolefin Deconstruction
Moore, S., Tran, A., Palmateer, A., Naranjo-Mendez, J., Dimitri, G., Eschbach, P., Miscall, J., Ellis, L.

05:00 PM

(388f) In silico Strategies for Achieving Polymer Circularity: Redesigned Monomers, Advanced Catalysts, and Mechanistic Understanding
Liu, X., Ye, L., Tian, J. J., Kratish, Y., Chen, E. Y. X., Marks, T., Broadbelt, L. J.

05:18 PM

(388g) Degradation of Plastics on Gold Plasmonic Nanoparticles: Electronic-Scale Insights from Computation
Hosseini, H., Herring, C., Pesika, N., Montemore, M.

05:36 PM

(388h) Optimization of Ni-Co Catalysts Supported on Zeolite Beta to Maximize Liquid Yields for Polyethylene Hydrocracking
Soltani, M., Rorrer, J.