Adaptive and automated system-optimization for heterogeneous flow-hydrogenation reactions

David C. Fabry; Steffen Heddrich; Erli Sugiono; Marcel A. Liauw; Magnus Rueping

doi:10.1039/c9re00032a

Adaptive and automated system-optimization for heterogeneous flow-hydrogenation reactions

David C. Fabry, Steffen Heddrich, Erli Sugiono, Marcel A. Liauw, Magnus Rueping

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

The hydrogenation of carbonyl compounds over a solid Pd/C catalyst to the corresponding alcohols and of N-heterocycles over a solid Ir@CNT catalyst to the corresponding amines with gaseous hydrogen from water electrolysis without human interaction is presented. This is achieved in three-dimensional parameter space (flow rate, temperature and hydrogen pressure) through an integration of inline FTIR-analysis, a simplex control algorithm and an H-Cube microreactor setup. The simplex method can cope with an initial transient behaviour which is characteristic for heterogeneous catalysis.

Original language	English (US)
Pages (from-to)	1486-1491
Number of pages	6
Journal	Reaction Chemistry & Engineering
Volume	4
Issue number	8
DOIs	https://doi.org/10.1039/c9re00032a
State	Published - 2019

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Technical assistance by Cornelia Vermeeren is very gratefully acknowledged. The project “Sustainable Chemical Synthesis (SusChemSys)” which is co-financed by the European Regional Development Fund (ERDF) and the State of North Rhine-Westphalia, Germany, under the Operational Programme “Regional Competitiveness and Employment” (2007–2013) is gratefully acknowledged.

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10.1039/c9re00032a

https://repository.kaust.edu.sa/bitstream/10754/656180/1/Manuscript_revised.pdf

Cite this

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title = "Adaptive and automated system-optimization for heterogeneous flow-hydrogenation reactions",

abstract = "The hydrogenation of carbonyl compounds over a solid Pd/C catalyst to the corresponding alcohols and of N-heterocycles over a solid Ir@CNT catalyst to the corresponding amines with gaseous hydrogen from water electrolysis without human interaction is presented. This is achieved in three-dimensional parameter space (flow rate, temperature and hydrogen pressure) through an integration of inline FTIR-analysis, a simplex control algorithm and an H-Cube microreactor setup. The simplex method can cope with an initial transient behaviour which is characteristic for heterogeneous catalysis.",

author = "Fabry, {David C.} and Steffen Heddrich and Erli Sugiono and Liauw, {Marcel A.} and Magnus Rueping",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: Technical assistance by Cornelia Vermeeren is very gratefully acknowledged. The project “Sustainable Chemical Synthesis (SusChemSys)” which is co-financed by the European Regional Development Fund (ERDF) and the State of North Rhine-Westphalia, Germany, under the Operational Programme “Regional Competitiveness and Employment” (2007–2013) is gratefully acknowledged.",

year = "2019",

doi = "10.1039/c9re00032a",

language = "English (US)",

volume = "4",

pages = "1486--1491",

journal = "Reaction Chemistry & Engineering",

issn = "2058-9883",

publisher = "Royal Society of Chemistry",

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TY - JOUR

T1 - Adaptive and automated system-optimization for heterogeneous flow-hydrogenation reactions

AU - Fabry, David C.

AU - Heddrich, Steffen

AU - Sugiono, Erli

AU - Liauw, Marcel A.

AU - Rueping, Magnus

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: Technical assistance by Cornelia Vermeeren is very gratefully acknowledged. The project “Sustainable Chemical Synthesis (SusChemSys)” which is co-financed by the European Regional Development Fund (ERDF) and the State of North Rhine-Westphalia, Germany, under the Operational Programme “Regional Competitiveness and Employment” (2007–2013) is gratefully acknowledged.

PY - 2019

Y1 - 2019

N2 - The hydrogenation of carbonyl compounds over a solid Pd/C catalyst to the corresponding alcohols and of N-heterocycles over a solid Ir@CNT catalyst to the corresponding amines with gaseous hydrogen from water electrolysis without human interaction is presented. This is achieved in three-dimensional parameter space (flow rate, temperature and hydrogen pressure) through an integration of inline FTIR-analysis, a simplex control algorithm and an H-Cube microreactor setup. The simplex method can cope with an initial transient behaviour which is characteristic for heterogeneous catalysis.

AB - The hydrogenation of carbonyl compounds over a solid Pd/C catalyst to the corresponding alcohols and of N-heterocycles over a solid Ir@CNT catalyst to the corresponding amines with gaseous hydrogen from water electrolysis without human interaction is presented. This is achieved in three-dimensional parameter space (flow rate, temperature and hydrogen pressure) through an integration of inline FTIR-analysis, a simplex control algorithm and an H-Cube microreactor setup. The simplex method can cope with an initial transient behaviour which is characteristic for heterogeneous catalysis.

UR - http://hdl.handle.net/10754/656180

UR - http://xlink.rsc.org/?DOI=C9RE00032A

UR - http://www.scopus.com/inward/record.url?scp=85069468213&partnerID=8YFLogxK

U2 - 10.1039/c9re00032a

DO - 10.1039/c9re00032a

M3 - Article

SN - 2058-9883

VL - 4

SP - 1486

EP - 1491

JO - Reaction Chemistry & Engineering

JF - Reaction Chemistry & Engineering

IS - 8

ER -

Adaptive and automated system-optimization for heterogeneous flow-hydrogenation reactions

Abstract

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