Measurements and Equation of State Modeling of the Density of Five 1-Alcohols (C6–C10) at Pressures of up to 120 MPa

The density of five 1-alcohols (1-hexanol, 1-heptanol, 1-octanol, 1-nonanol, and 1-decanol) was measured using a vibrating-tube densimeter at pressures of up to 120 MPa for temperatures between 298.15 and 423.15 K. The relative expanded uncertainty of the experimental data is below 0.2%. The new results significantly extend the available literature data. The density of the five alcohols was modeled using four molecular-based equations of state (EOSs), namely PC-SAFT, SAFT-VR Mie, soft SAFT, and CPA. New component-specific EOS models were parametrized for all considered EOSs and substances using vapor–liquid equilibrium data from the literature and the density data from this work. The resulting EOS models describe the density with deviations of about 0.2–1.5%. For the thermal second-order derivative properties, the relative deviations were 10–50% for the isothermal compressibility and 5–35% for the thermal expansion coefficient. Also, the extrapolation behavior of the EOS models was assessed. Overall, the best results were obtained from the SAFT-VR Mie EOS.

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Publication Details

Journal
Journal of Chemical & Engineering Data
Published
2024-08-19
DOI
https://doi.org/10.1021/acs.jced.4c00265
Citations
6
Primary Topic
Phase Equilibria and Thermodynamics
Type
article
Field-Weighted Citation Impact
1.11

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article

Measurements and Equation of State Modeling of the Density of Five 1-Alcohols (C6–C10) at Pressures of up to 120 MPa

Hans Hasse, Simon Stephan, Sebastian Schmitt
6 citations
Journal of Chemical & Engineering Data
Phase Equilibria and Thermodynamics
1.11
article

Measurements and Equation of State Modeling of the Density of Five 1-Alcohols (C6–C10) at Pressures of up to 120 MPa

Hans Hasse, Simon Stephan, Sebastian Schmitt
article en
6 citations

Abstract

The density of five 1-alcohols (1-hexanol, 1-heptanol, 1-octanol, 1-nonanol, and 1-decanol) was measured using a vibrating-tube densimeter at pressures of up to 120 MPa for temperatures between 298.15 and 423.15 K. The relative expanded uncertainty of the experimental data is below 0.2%. The new results significantly extend the available literature data. The density of the five alcohols was modeled using four molecular-based equations of state (EOSs), namely PC-SAFT, SAFT-VR Mie, soft SAFT, and CPA. New component-specific EOS models were parametrized for all considered EOSs and substances using vapor–liquid equilibrium data from the literature and the density data from this work. The resulting EOS models describe the density with deviations of about 0.2–1.5%. For the thermal second-order derivative properties, the relative deviations were 10–50% for the isothermal compressibility and 5–35% for the thermal expansion coefficient. Also, the extrapolation behavior of the EOS models was assessed. Overall, the best results were obtained from the SAFT-VR Mie EOS.

Journal of Chemical & Engineering DataVol. 69(9)
University of Kaiserslautern (DE), Rheinland-Pfälzische Technische Universität Kaiserslautern-Landau (DE)
KSB Stiftung, HORIZON EUROPE Climate, Energy and Mobility
Openalex Percentile: Top 25%
Phase Equilibria and Thermodynamics
1.11
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