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Simulation of transients in heterogeneous catalysis: a comparison of the step- and pulse-transient techniques for the study of hydrocarbon oxidation on metal oxide catalysts

Hinz, A; Nilsson, B and Andersson, Arne LU (2000) In Chemical Engineering Science 55(20). p.4385-4397
Abstract
The responses to step and pulse transients with reactants have been simulated for conventional step-transient conditions at atmospheric pressure and pulsing under vacuum using a temporal analysis of products (TAP) reactor, respectively. Propene oxidation over an oxide catalyst with the participation of lattice oxygen was chosen as a model reaction. The mechanism comprises adsorption of the reactants, a series of surface reaction steps and desorption of the products. For this type of reaction one of the reactants, namely oxygen, is a constituent of the catalyst and the oxygen coverage is assumed to be one at the start of the transient, Simulations were performed for all variants with one of the reaction steps becoming rate limiting at... (More)
The responses to step and pulse transients with reactants have been simulated for conventional step-transient conditions at atmospheric pressure and pulsing under vacuum using a temporal analysis of products (TAP) reactor, respectively. Propene oxidation over an oxide catalyst with the participation of lattice oxygen was chosen as a model reaction. The mechanism comprises adsorption of the reactants, a series of surface reaction steps and desorption of the products. For this type of reaction one of the reactants, namely oxygen, is a constituent of the catalyst and the oxygen coverage is assumed to be one at the start of the transient, Simulations were performed for all variants with one of the reaction steps becoming rate limiting at steady-state conditions. Both types of transients are compared for the same reaction mechanism and rate constants, neglecting catalyst restructuring. The results show that the visual features of step responses are often quite conclusive about the rate limiting step of the reaction mechanism, while pulse responses in this regard are less conclusive unless they are modelled or a desorption step is rate limiting. The two transient methods are compared regarding their usability for the study of reaction mechanisms. (C) 2000 Elsevier Science Ltd. All rights reserved. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
simulation, kinetics, transient responses, catalysis, hydrocarbon, oxidation, oxide catalysts
in
Chemical Engineering Science
volume
55
issue
20
pages
4385 - 4397
publisher
Elsevier
external identifiers
  • wos:000089334300001
  • scopus:0034307194
ISSN
0009-2509
DOI
10.1016/S0009-2509(00)00094-4
language
English
LU publication?
yes
id
ec335d2a-a772-4533-898b-f5a2de7675e8 (old id 3915450)
date added to LUP
2013-07-02 08:33:12
date last changed
2017-08-06 04:33:09
@article{ec335d2a-a772-4533-898b-f5a2de7675e8,
  abstract     = {The responses to step and pulse transients with reactants have been simulated for conventional step-transient conditions at atmospheric pressure and pulsing under vacuum using a temporal analysis of products (TAP) reactor, respectively. Propene oxidation over an oxide catalyst with the participation of lattice oxygen was chosen as a model reaction. The mechanism comprises adsorption of the reactants, a series of surface reaction steps and desorption of the products. For this type of reaction one of the reactants, namely oxygen, is a constituent of the catalyst and the oxygen coverage is assumed to be one at the start of the transient, Simulations were performed for all variants with one of the reaction steps becoming rate limiting at steady-state conditions. Both types of transients are compared for the same reaction mechanism and rate constants, neglecting catalyst restructuring. The results show that the visual features of step responses are often quite conclusive about the rate limiting step of the reaction mechanism, while pulse responses in this regard are less conclusive unless they are modelled or a desorption step is rate limiting. The two transient methods are compared regarding their usability for the study of reaction mechanisms. (C) 2000 Elsevier Science Ltd. All rights reserved.},
  author       = {Hinz, A and Nilsson, B and Andersson, Arne},
  issn         = {0009-2509},
  keyword      = {simulation,kinetics,transient responses,catalysis,hydrocarbon,oxidation,oxide catalysts},
  language     = {eng},
  number       = {20},
  pages        = {4385--4397},
  publisher    = {Elsevier},
  series       = {Chemical Engineering Science},
  title        = {Simulation of transients in heterogeneous catalysis: a comparison of the step- and pulse-transient techniques for the study of hydrocarbon oxidation on metal oxide catalysts},
  url          = {http://dx.doi.org/10.1016/S0009-2509(00)00094-4},
  volume       = {55},
  year         = {2000},
}