2024 AIChE Annual Meeting

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

Chair

Deeksha Jain, Clariant Corporation

Co-Chairs

Konstantinos Alexopoulos, University of Delaware

Presentations

03:30 PM

(388a) Polyolefin Melt-Phase Effects on Alkane Hydrogenolysis over Pt Catalysts
Mehdi Zare, Andreas Heyden

03:48 PM

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

04:06 PM

(388c) Understanding Hydrogenolysis Activity and Binding Strength of Aromatic and Naphthene Model Compounds on Iridium and Ruthenium Surfaces during Polystyrene Upcycling
Andy Simonson, Evan Phillips, David Hibbitts

04:24 PM

(388d) Multiscale and Particle-Size Modeling of Hydrogenolysis of Light Hydrocarbons on Pt Catalysts: Implication for Plastics Upcycling
Mubarak Bello, Olajide Bamidele, Wenqiang Yang, Andreas Heyden

04:42 PM

(388e) Importance of Nanometer-Scale Bifunctional Interactions in Metathesis-Based Strategies for Polyolefin Deconstruction
Selena Moore, Andrew Tran, Andreas Palmateer, Jose Naranjo-Mendez, Gatzios Dimitri, Peter Eschbach, Joel Miscall, Lucas Ellis

05:00 PM

(388f) In silico Strategies for Achieving Polymer Circularity: Redesigned Monomers, Advanced Catalysts, and Mechanistic Understanding
Xiaoyang Liu, Liwei Ye, Jun-Jie Tian, Yosi Kratish, Eugene Y.-X Chen, Tobin Marks, Linda Broadbelt

05:18 PM

(388g) Degradation of Plastics on Gold Plasmonic Nanoparticles: Electronic-Scale Insights from Computation
Hajar Hosseini, Connor Herring, Noshir Pesika, Matthew Montemore

05:36 PM

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