Solubility of gases in a hydroformylation solvent

Cecilia Still, Tapio Salmi, Päivi Mäki-Arvela*, Kari Eränen, Dmitry Yu. Murzin, Juha Lehtonen

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

14 Citations (Scopus)


The solubility of reactants used in homogeneously catalyzed hydroformylation of alkene was studied in a pressurized, semi-batch autoclave. The solubilities of alkene, carbon monoxide and hydrogen in the 2,2,4-trimethyl-1,3-pentanediol mono(2-methylpropanoate) solvent (NX 795) were determined by precise pressure and weight measurements. The measured solubilities were tested against empirical and theoretical models. Logarithmic empirical models gave a very good fit to experimental solubility data. To obtain nonempirical equations for the gas solubility, thermodynamic models based on activity coefficients and equations of state were used. The activity coefficient models based on regular solution theory (RST) predicted the solubilities well, but the selection of the model is the critical issue. For 1-butene, the best prediction was provided by the Yen and McKetta modification of the RST, whereas for carbon monoxide and hydrogen it was necessary to include a mixing entropy term in the RST. The Soave-Redlich-Kwong equation of state gave a fairly good prediction of the solubilities, but not as good as the RST-based models.

Original languageEnglish
Pages (from-to)3698-3704
Number of pages7
JournalChemical Engineering Science
Issue number11
Publication statusPublished - Jun 2006
MoE publication typeA1 Journal article-refereed


  • Alkene
  • Carbon monoxide
  • Hydroformylation
  • Hydrogen
  • Solubility of gases
  • Thermodynamic modelling


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