Dynamic modelling of non-isothermal open-cell foam catalyst packings: selective sugar hydrogenation to sugar alcohols as a case study

Catarina G. Braz; Ali Najarnezhadmashhadi; Vincenzo Russo; Kari Eränen; Henrique A. Matos; Tapio Salmi

doi:10.1016/B978-0-323-95879-0.50013-8

Dynamic modelling of non-isothermal open-cell foam catalyst packings: selective sugar hydrogenation to sugar alcohols as a case study

Catarina G. Braz, Ali Najarnezhadmashhadi, Vincenzo Russo, Kari Eränen, Henrique A. Matos, Tapio Salmi

Research output: Chapter in Book/Conference proceeding › Conference contribution › Scientific › peer-review

Abstract

A comprehensive multiphase model was developed for a trickle bed reactor with solid foam packings. Three-dimensional dynamic mass and energy balances in the three phases of heterogeneously catalysed reaction systems were implemented, and the mass and heat transfer resistances in the gas-liquid and liquid-solid phases and inside the pores of the catalyst were included in the model. Hydrogenation of arabinose and galactose mixtures on a ruthenium catalyst supported by carbon-coated aluminium foams was applied as an industrially relevant case study for the multiphase model. The kinetic parameters were estimated with confidence intervals within 10% error, indicating a good accuracy of the parameters, and the model results present a good adjustment to the experimental values. Finally, a sensitivity analysis on several model parameters demonstrated that the model could be applied to industrially sized reactors and various multiphase catalytic systems.

Original language	English
Title of host publication	32nd EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING
Publisher	Elsevier B.V.
Pages	73-78
Number of pages	6
Volume	1
ISBN (Electronic)	978-0-443-18631-8
DOIs	https://doi.org/10.1016/B978-0-323-95879-0.50013-8
Publication status	Published - 2022
MoE publication type	A4 Article in a conference publication

Publication series

Name	Computer Aided Chemical Engineering
Volume	51
ISSN (Print)	1570-7946

Keywords

gPROMS
Mass transfer
Non-isothermal trickle bed reactor
Open-cell foam catalyst packing
Reaction kinetics

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10.1016/B978-0-323-95879-0.50013-8

Cite this

Braz, C. G., Najarnezhadmashhadi, A., Russo, V., Eränen, K., Matos, H. A., & Salmi, T. (2022). Dynamic modelling of non-isothermal open-cell foam catalyst packings: selective sugar hydrogenation to sugar alcohols as a case study. In 32nd EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING (Vol. 1, pp. 73-78). (Computer Aided Chemical Engineering; Vol. 51). Elsevier B.V.. https://doi.org/10.1016/B978-0-323-95879-0.50013-8

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title = "Dynamic modelling of non-isothermal open-cell foam catalyst packings: selective sugar hydrogenation to sugar alcohols as a case study",

abstract = "A comprehensive multiphase model was developed for a trickle bed reactor with solid foam packings. Three-dimensional dynamic mass and energy balances in the three phases of heterogeneously catalysed reaction systems were implemented, and the mass and heat transfer resistances in the gas-liquid and liquid-solid phases and inside the pores of the catalyst were included in the model. Hydrogenation of arabinose and galactose mixtures on a ruthenium catalyst supported by carbon-coated aluminium foams was applied as an industrially relevant case study for the multiphase model. The kinetic parameters were estimated with confidence intervals within 10% error, indicating a good accuracy of the parameters, and the model results present a good adjustment to the experimental values. Finally, a sensitivity analysis on several model parameters demonstrated that the model could be applied to industrially sized reactors and various multiphase catalytic systems.",

keywords = "gPROMS, Mass transfer, Non-isothermal trickle bed reactor, Open-cell foam catalyst packing, Reaction kinetics",

author = "Braz, {Catarina G.} and Ali Najarnezhadmashhadi and Vincenzo Russo and Kari Er{\"a}nen and Matos, {Henrique A.} and Tapio Salmi",

note = "Funding Information: The present work was financed by Finnish Cultural Foundation, Neste-Fortum Foundation and Rector of {\AA}bo Akademi University (Ali Najarnezhadmashhadi), Academy of Finland, Academy Professor grant 319002 (Tapio Salmi) and CERENA, strategic project FCT-UIDB/04028/2020 (Henrique Matos and Catarina Braz). The economic support is gratefully acknowledged. Publisher Copyright: {\textcopyright} 2022 Elsevier B.V.",

year = "2022",

doi = "10.1016/B978-0-323-95879-0.50013-8",

language = "English",

volume = "1",

series = "Computer Aided Chemical Engineering",

publisher = "Elsevier B.V.",

pages = "73--78",

booktitle = "32nd EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING",

}

Braz, CG, Najarnezhadmashhadi, A, Russo, V, Eränen, K, Matos, HA & Salmi, T 2022, Dynamic modelling of non-isothermal open-cell foam catalyst packings: selective sugar hydrogenation to sugar alcohols as a case study. in 32nd EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING. vol. 1, Computer Aided Chemical Engineering, vol. 51, Elsevier B.V., pp. 73-78. https://doi.org/10.1016/B978-0-323-95879-0.50013-8

Dynamic modelling of non-isothermal open-cell foam catalyst packings: selective sugar hydrogenation to sugar alcohols as a case study. / Braz, Catarina G.; Najarnezhadmashhadi, Ali; Russo, Vincenzo et al.
32nd EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING. Vol. 1 Elsevier B.V., 2022. p. 73-78 (Computer Aided Chemical Engineering; Vol. 51).

Research output: Chapter in Book/Conference proceeding › Conference contribution › Scientific › peer-review

TY - GEN

T1 - Dynamic modelling of non-isothermal open-cell foam catalyst packings

T2 - selective sugar hydrogenation to sugar alcohols as a case study

AU - Braz, Catarina G.

AU - Najarnezhadmashhadi, Ali

AU - Russo, Vincenzo

AU - Eränen, Kari

AU - Matos, Henrique A.

AU - Salmi, Tapio

N1 - Funding Information: The present work was financed by Finnish Cultural Foundation, Neste-Fortum Foundation and Rector of Åbo Akademi University (Ali Najarnezhadmashhadi), Academy of Finland, Academy Professor grant 319002 (Tapio Salmi) and CERENA, strategic project FCT-UIDB/04028/2020 (Henrique Matos and Catarina Braz). The economic support is gratefully acknowledged. Publisher Copyright: © 2022 Elsevier B.V.

PY - 2022

Y1 - 2022

N2 - A comprehensive multiphase model was developed for a trickle bed reactor with solid foam packings. Three-dimensional dynamic mass and energy balances in the three phases of heterogeneously catalysed reaction systems were implemented, and the mass and heat transfer resistances in the gas-liquid and liquid-solid phases and inside the pores of the catalyst were included in the model. Hydrogenation of arabinose and galactose mixtures on a ruthenium catalyst supported by carbon-coated aluminium foams was applied as an industrially relevant case study for the multiphase model. The kinetic parameters were estimated with confidence intervals within 10% error, indicating a good accuracy of the parameters, and the model results present a good adjustment to the experimental values. Finally, a sensitivity analysis on several model parameters demonstrated that the model could be applied to industrially sized reactors and various multiphase catalytic systems.

AB - A comprehensive multiphase model was developed for a trickle bed reactor with solid foam packings. Three-dimensional dynamic mass and energy balances in the three phases of heterogeneously catalysed reaction systems were implemented, and the mass and heat transfer resistances in the gas-liquid and liquid-solid phases and inside the pores of the catalyst were included in the model. Hydrogenation of arabinose and galactose mixtures on a ruthenium catalyst supported by carbon-coated aluminium foams was applied as an industrially relevant case study for the multiphase model. The kinetic parameters were estimated with confidence intervals within 10% error, indicating a good accuracy of the parameters, and the model results present a good adjustment to the experimental values. Finally, a sensitivity analysis on several model parameters demonstrated that the model could be applied to industrially sized reactors and various multiphase catalytic systems.

KW - gPROMS

KW - Mass transfer

KW - Non-isothermal trickle bed reactor

KW - Open-cell foam catalyst packing

KW - Reaction kinetics

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U2 - 10.1016/B978-0-323-95879-0.50013-8

DO - 10.1016/B978-0-323-95879-0.50013-8

M3 - Conference contribution

AN - SCOPUS:85135389259

VL - 1

T3 - Computer Aided Chemical Engineering

SP - 73

EP - 78

BT - 32nd EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING

PB - Elsevier B.V.

ER -

Braz CG, Najarnezhadmashhadi A, Russo V, Eränen K, Matos HA, Salmi T. Dynamic modelling of non-isothermal open-cell foam catalyst packings: selective sugar hydrogenation to sugar alcohols as a case study. In 32nd EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING. Vol. 1. Elsevier B.V. 2022. p. 73-78. (Computer Aided Chemical Engineering). doi: 10.1016/B978-0-323-95879-0.50013-8

Dynamic modelling of non-isothermal open-cell foam catalyst packings: selective sugar hydrogenation to sugar alcohols as a case study

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