November 2021 | AIChE

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November 2021

Application of Automatic Fragment Modeling in Plastic Pyrolysis

Conference Presentation
AIChE Annual Meeting
November 8, 2021
Detailed kinetic models are well developed for predicting light hydrocarbon systems. However, for more complicated modeling processes such as waste...

First-Principles Design of Heterogeneous Catalysts with Automatic Simulations

Conference Presentation
AIChE Annual Meeting
November 8, 2021
Producing high-valued commodities and energy-storing molecules from non-petroleum sources is among the challenges of decarbonizing the economy by...

CFD Modeling and Liquid Vaporization: Industrial FCC Riser Feed Injection Application

Conference Presentation
AIChE Annual Meeting
November 8, 2021
Computational fluid dynamics (CFD) modeling has been used to simulate FCC risers for more than a decade. Riser simulation has been performed with a...

The Euler Characteristic: A General Topological Descriptor for Complex Data

Conference Presentation
AIChE Annual Meeting
November 8, 2021
Datasets are mathematical objects (e.g., point clouds, matrices, graphs, images, field/functions) that have shape [1]. Characterizing the shape (...

Thermochemical Co-Conversion of Waste Polyolefins with Low-Rank Aromatic-Rich Hydrocarbons into an Intermediate of High-Quality Anisotropic Pitch

Conference Presentation
AIChE Annual Meeting
November 8, 2021
As primary packaging materials, polyolefin plastics (PP, HDPE, and LDPE) are the most widely used plastics in daily life. As a result, polyolefin...

Computational Evaluation of Plasmonic Photocatalysis in Au and Ag Nanoparticles

Conference Presentation
AIChE Annual Meeting
November 8, 2021
Many industrial chemical processes require high operating temperatures to drive catalytic reactions which are crucial to human development. These...

Chasing Flow Instabilities with Paul Steen

Conference Presentation
AIChE Annual Meeting
November 8, 2021
Paul Steen was my uncle, the academic brother of my thesis advisor E. B. Dussan V, and son of my academic grandfather Steve Davis. I worked closely...

Secondary Nucleation Rates: Comparison of Mechanisms and Models

Conference Presentation
AIChE Annual Meeting
November 8, 2021
Motivation For decades, the production of large-scale food products, e.g., sugar and table salt, has relied upon continuous crystallization...

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