University of Illinois Urbana-Champaign

Series reactions and transport in catalysis and crystal growth: A multiscale modeling perspective

Shayesteh Zadeh, Armin

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https://hdl.handle.net/2142/121296

Description

Title
Series reactions and transport in catalysis and crystal growth: A multiscale modeling perspective
Author(s)
Shayesteh Zadeh, Armin
Issue Date
2023-05-24
Director of Research (if dissertation) or Advisor (if thesis)
Peters, Baron G.
Doctoral Committee Chair(s)
Peters, Baron G.
Committee Member(s)
  • Yang, Hong
  • Mironenko, Alex
  • Rodriguez-Lopez, Joaquin
Department of Study
Chemical & Biomolecular Engr
Discipline
Chemical Engineering
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Catalysis, Crystal Growth, Multiscale modeling, Reaction engineering, Kinetics
Abstract
Processes that involve reactions at interfaces are ubiquitous in chemical engineering, and often the surface kinetics are coupled to boundary layer transport, transport in porous solids, and bulk concentration changes. The quantitative study of heterogenous systems requires models that can incorporate phenomena at different length and time scales to analyze the diffusive and reactive contributions and identify the rate-controlling processes. In this thesis, we develop models to study the effects of diffusion limitations on reactions in series and the impedance of crystal growth rate due to conformer interconversion and dimerization reactions. We introduce the “secondary effectiveness factor” for different pellet geometries to quantify the contribution of diffusion limitations to the observed rate for a system of reactions in series. We demonstrate the application of the secondary effectiveness factor in designing catalyst pellets to increase the yield of intermediate species in a system with series reactions. We also model coupled reaction and diffusion phenomena in crystallization. Specifically, we study changes in the growth rate due to conformational interconversion and dimerization reactions in the boundary layer close to the crystal surface and the bulk. We develop a dimensionless parameter, “growth admittance,” that quantifies how much the rate of reaction in the boundary layer is affecting the crystal growth rate. Finally, we develop and solve a population balance model to understand how conformer interconversion kinetics, crystal growth rates, and residence time affects crystal production and size distributions in a mixed suspension mixed product removal crystallizer.
Graduation Semester
2023-08
Type of Resource
Thesis
Copyright and License Information
Copyright 2023 Armin Shayesteh Zadeh

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