Measurements and\nEquation of State Modeling of the\nDensity of Five 1‑Alcohols (C6–C10) at Pressures of\nup to 120 MPa

The density of five 1-alcohols (1-hexanol, 1-heptanol,\n1-octanol,\n1-nonanol, and 1-decanol) was measured using a vibrating-tube densimeter\nat pressures of up to 120 MPa for temperatures between 298.15 and\n423.15 K. The relative expanded uncertainty of the experimental data\nis below 0.2%. The new results significantly extend the available\nliterature data. The density of the five alcohols was modeled using\nfour molecular-based equations of state (EOSs), namely PC-SAFT, SAFT-VR\nMie, soft SAFT, and CPA. New component-specific EOS models were parametrized\nfor all considered EOSs and substances using vapor–liquid equilibrium\ndata from the literature and the density data from this work. The\nresulting EOS models describe the density with deviations of about\n0.2–1.5%. For the thermal second-order derivative properties,\nthe relative deviations were 10–50% for the isothermal compressibility\nand 5–35% for the thermal expansion coefficient. Also, the\nextrapolation behavior of the EOS models was assessed. Overall, the\nbest results were obtained from the SAFT-VR Mie EOS.

Publication Details

Journal
Figshare
Published
2024-08-19
DOI
https://doi.org/10.1021/acs.jced.4c00265.s001
Primary Topic
Phase Equilibria and Thermodynamics
Type
article
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article

Measurements and\nEquation of State Modeling of the\nDensity of Five 1‑Alcohols (C6–C10) at Pressures of\nup to 120 MPa

Figshare
Phase Equilibria and Thermodynamics
article

Measurements and\nEquation of State Modeling of the\nDensity of Five 1‑Alcohols (C6–C10) at Pressures of\nup to 120 MPa

article en

Abstract

The density of five 1-alcohols (1-hexanol, 1-heptanol,\n1-octanol,\n1-nonanol, and 1-decanol) was measured using a vibrating-tube densimeter\nat pressures of up to 120 MPa for temperatures between 298.15 and\n423.15 K. The relative expanded uncertainty of the experimental data\nis below 0.2%. The new results significantly extend the available\nliterature data. The density of the five alcohols was modeled using\nfour molecular-based equations of state (EOSs), namely PC-SAFT, SAFT-VR\nMie, soft SAFT, and CPA. New component-specific EOS models were parametrized\nfor all considered EOSs and substances using vapor–liquid equilibrium\ndata from the literature and the density data from this work. The\nresulting EOS models describe the density with deviations of about\n0.2–1.5%. For the thermal second-order derivative properties,\nthe relative deviations were 10–50% for the isothermal compressibility\nand 5–35% for the thermal expansion coefficient. Also, the\nextrapolation behavior of the EOS models was assessed. Overall, the\nbest results were obtained from the SAFT-VR Mie EOS.

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Phase Equilibria and Thermodynamics
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