Reactors, Kinetics, and Catalysis

Mechanistic model for kinetics of propene hydroformylation with Rh catalyst

  1. Dmitry Yu Murzin*,
  2. Andreas Bernas,
  3. Tapio Salmi

Article first published online: 12 SEP 2011

DOI: 10.1002/aic.12746

Issue

AIChE Journal

AIChE Journal

Volume 58, Issue 7, pages 2192–2201, July 2012

Additional Information

How to Cite

Murzin, D. Y., Bernas, A. and Salmi, T. (2012), Mechanistic model for kinetics of propene hydroformylation with Rh catalyst. AIChE J., 58: 2192–2201. doi: 10.1002/aic.12746

Author Information

  1. Dept. of Chemical Engineering, Åbo Akademi University, Process Chemistry Centre, FI-20500 Åbo/Turku, Finland

*Dept. of Chemical Engineering, Åbo Akademi University, Process Chemistry Centre, FI-20500 Åbo/Turku, Finland

Publication History

  1. Issue published online: 7 JUN 2012
  2. Article first published online: 12 SEP 2011
  3. Accepted manuscript online: 3 AUG 2011 10:26AM EST
  4. Manuscript Revised: 18 JUL 2011
  5. Manuscript Received: 6 MAY 2011

Funded by

  • Åbo Akademi Process Chemistry Centre within the Finnish Centre of Excellence Programme. Grant Number: 2000–2011
  • Academy of Finland

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Keywords:

  • hydroformylation;
  • propene;
  • rhodium;
  • cyclohexyl diphenylphosphine;
  • kinetic modeling

Abstract

Hydroformylation of propene to isobutyraldehyde and n-butyraldehyde was studied in the kinetic regime in a semibatch stainless steel reactor at 85–115°C and 1–15 bar pressure in 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate solvent with rhodium catalyst cyclohexyl diphenylphosphine as a ligand, which showed lower normal/isometric aldehyde ratio (n/i) than previously studied triphenylphosphine. The rate was pressure and Rh concentration dependent. The regioselectivity was conversion independent; however, dependent on the ligand concentration, as higher ligand concentration promoted isobutyraldehyde formation. The influence of ligand concentration on regioselectivity was investigated. A kinetic model was proposed based on the mechanism of alkene hydroformylation and compared with experimental observations. Numerical data fitting was performed showing good agreement of reaction rates and regioselectivity with experimental data. © 2011 American Institute of Chemical Engineers AIChE J, 2012

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