Modeling and simulation of a packed-bed reactor for carrying out the water-gas shift reaction

• Type: Article in International Scientific Journal
• Date: 2012

Authors

Y. A. Manrique (Author) FEUP; C. V. Miguel (Author) FEUP; Diogo Manuel Mendes (Author) FEUP; Adélio Mendes (Author) FEUP; L. M. Madeira (Author) FEUP

Journal

Title: International Journal of Chemical Reactor Engineering

Vol. 10 No. 1

ISSN: 2194-5748

Publisher: Walter de Gruyter GmbH

Indexing

ISI Web of Knowledge - 5 Citations

ISI Web of Science

Scopus - 6 Citations

INSPEC

Scientific classification

FOS: Engineering and technology > Chemical engineering

Associated Projects

PTDC/EQU-ERQ/098730/2008 - Integração de Reactores de Membrana com Processos Adsorptivos usando-se Catalisadores Suportados em Monolitos para a Produção de Hidrogénio de Elevada Pureza

Other information

Authenticus ID: P-002-F0K

DOI: 10.1515/1542-6580.3105

Abstract (EN): In this work the water-gas shift (WGS) process was addressed, with particular emphasis in the development of phenomenological models that can reproduce experimental results in a WGS reactor operating at low temperatures. It was simulated the conversion obtained in a fixed-bed reactor (PBR) packed with a Cubased catalyst making use of a composed kinetic equation in which the Langmuir-Hinshelwood rate model was used for the lowest temperature range (up to 215 °C), while for temperatures in the range 215-300 °C a redox model was employed. Several packed-bed reactor models were then proposed, all of them without any fitting parameters. After comparing the simulations against experimental CO conversion data for different temperatures and space time values, it was concluded that the heterogeneous model comprising axial dispersion and mass transfer resistances shows the best fitting. This model revealed also good adherence to other experiments employing different feed compositions (CO and H2O contents); it predicts also the overall trend of increasing CO conversion with the total pressure. This modeling work is particularly important for small scale applications related with hydrogen production/purification for fuel cells. Copyright © 2012 De Gruyter. All rights reserved.

Language: English

Type (Professor's evaluation): Scientific

Notes: Publicação abrangida pelo Journal Citation Reports 2015

No. of pages: 26