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 journalArticlepeer-review

14 Scopus citations


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 languageEnglish (US)
Pages (from-to)1486-1491
Number of pages6
JournalReaction Chemistry & Engineering
Issue number8
StatePublished - 2019


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