Study on mass transfer in reactive liquid-liquid systems

Roland Nagl, Sandrina Stocker, Patrick Zimmermann, Tim Zeiner*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


This work examines the mass transfer in reactive liquid-liquid systems applying the dynamic concentration gradient theory (CGT). The CGT is based on a square gradient approach delivering an expression for the Gibbs energy of an inhomogeneous system as basis for the mass transfer in a two-phase system. For this work, the CGT was combined for the first time with a reaction kinetics model to model the reactive mass transfer. The model was validated by experiments. As model reaction the reversible diacetone alcohol formation in a water-toluene system was chosen. To parameterize the Gibbs excess energy model, phase equilibria were measured and furthermore, the predictive power of the model to calculate interfacial tension in equilibrium was also checked by own experiments. To analyze the mass transfer in liquid-liquid systems the model prediction was compared to experimental data from Nitsch-cell experiments. It was found that the model predictions are in excellent agreement to the forward reaction predictions as well as to the backward reaction.

Original languageEnglish
Pages (from-to)541-555
Number of pages15
JournalChemical Engineering Research and Design
Publication statusPublished - Oct 2022


  • Mass transfer
  • Reaction
  • Square gradient theory
  • Thermodynamics
  • Phase equilibrium
  • Interfacial tension

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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