Methodology for Reduced-Order Multichannel Modeling of a Catalytic Converter
Journal article, 2024

Numerical simulations of catalytic exhaust after treatment systems are critical for evaluation and optimization. While transient 3D-computational fluid dynamics (3D-CFD) simulations are computationally expensive, single channel models (SCM) are robust and computationally effective, but flow maldistribution that compromises the accuracy of SCM is unavoidable in realistic geometries. We present a novel multichannel model (MCM) by applying chemometric techniques on transient 3D-CFD solutions. The performance of an oxidation catalyst with flow maldistribution is simulated and variables of interest are collected at the catalyst outlet for calibration and assessment of the MCM. Channel locations and weights are determined using D-optimal design on the scores from a principal component analysis, followed by weighted least-squares regression based on two objective functions (heat content and species conversion). MCM exhibits lower residuals than a SCM and closely approximates the computational fluid dynamics data across various test cases, opening up for rigorous control applications with improved accuracy in real-world systems with intricate geometries.

Principal Component Analysis

Reactive simulations

weighted least squares

residual

regression

multi-channel

D-optimal design

single channel model

root mean square of the error

Author

Pratheeba Chanda Nagarajan

Chalmers, Mechanics and Maritime Sciences (M2), Energy Conversion and Propulsion Systems

Henrik Ström

Chalmers, Mechanics and Maritime Sciences (M2), Fluid Dynamics

Jonas Sjöblom

Chalmers, Mechanics and Maritime Sciences (M2), Energy Conversion and Propulsion Systems

Industrial & Engineering Chemistry Research

0888-5885 (ISSN) 1520-5045 (eISSN)

Vol. 63 41 17462-17476

Subject Categories

Mechanical Engineering

Environmental Engineering

Chemical Engineering

Driving Forces

Sustainable development

Areas of Advance

Transport

Energy

DOI

10.1021/acs.iecr.4c01571

More information

Created

10/16/2024