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- W4306954581 abstract "We present a methodology for modeling multi-step reaction rates in porous catalyst particles for use in CFD–DEM and two fluid models. Single-step effectiveness factors based on a Thiele modulus, while useful, cannot accurately capture the cascading reaction systems common in high temperature vapor-phase chemical reactors like fluidized catalytic cracking units and catalytic biomass fast pyrolysis systems. Instead, multi-step effectiveness vectors derived from steady-state solutions to the governing reaction–diffusion equations are needed. Solutions for various catalyst shapes are presented, including spheres, cylinders, and prisms. Computational challenges inherent in repeated evaluation of reaction rates with diffusion limitations are discussed, and an efficient implementation based on pre-computed lookup tables is proposed and demonstrated on a simulation of a fluidized bed reactor. Open-source code is provided for the compilation of reaction rate tables for use in ODE, DEM, and two-fluid models. • Derived solutions for reaction rates inside porous particles of different shapes. • First-order multi-stage reactions are reduced to decoupled single-stage problems. • Pre-computed lookup tables enable fast estimates of intraparticle reaction kinetics. • Single-stage reaction rate estimates for general particle shapes are presented." @default.
- W4306954581 created "2022-10-21" @default.
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- W4306954581 date "2023-02-01" @default.
- W4306954581 modified "2023-09-24" @default.
- W4306954581 title "Fast estimation of reaction rates in spherical and non-spherical porous catalysts" @default.
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- W4306954581 doi "https://doi.org/10.1016/j.cej.2022.139637" @default.
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