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Keywords:

  • 1,3-Butadiene;
  • 1-Pentanol;
  • 2-Propene-1-ol;
  • COSMO-RS;
  • Henry coefficient;
  • Propane;
  • PSRK;
  • UNIFAC

Graphical Abstract

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Gas solubilities represent the property data basis for absorption processes and are important in the design of gas-liquid reactors. We determine Henry coefficients as a measure of gas solubility by means of a series of computational approaches used in industrial practice and compare the results to experimentally determined values. Temperature-varied values for hydrocarbon-alcohol systems constitute the object of the study.

Abstract

Gas solubilities belong to the class of property data that form the basis for a large number of technological applications. For example, they represent the property data basis for absorption processes and are important in the design of gas-liquid reactors. In this paper, we determine Henry coefficients as a measure of gas solubility by means of a series of computational approaches used in industrial practice, and we compare the results to experimentally determined values. Temperature-varied values for hydrocarbon-alcohol systems constitute the object of the study. Of the methods employed, PSRK, UNIFAC(Do) and COSMO-RS display the highest predictive capability.