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Experimental High-Temperature, High-Pressure Density Measurement and Perturbed-Chain Statistical Associating Fluid Theory Modeling of Dimethyl Sulfoxide, Isoamyl Acetate, and Benzyl Alcohol
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    Experimental High-Temperature, High-Pressure Density Measurement and Perturbed-Chain Statistical Associating Fluid Theory Modeling of Dimethyl Sulfoxide, Isoamyl Acetate, and Benzyl Alcohol
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    • Ameneh Paknejad
      Ameneh Paknejad
      Department of Physical Chemistry, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran
    • Rokhsareh Mohammadkhani
      Rokhsareh Mohammadkhani
      Department of Physical Chemistry, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran
    • Hosseinali Zarei*
      Hosseinali Zarei
      Department of Physical Chemistry, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran
      *E-mail: [email protected]. Phone: +98 8138282807.
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    Journal of Chemical & Engineering Data

    Cite this: J. Chem. Eng. Data 2019, 64, 12, 5174–5184
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    https://doi.org/10.1021/acs.jced.9b00396
    Published October 15, 2019
    Copyright © 2019 American Chemical Society

    Abstract

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    Experimental high-temperature, high-pressure (HTHP) density of three solvents including dimethyl sulfoxide, benzyl alcohol, and isoamyl acetate was measured at temperatures of 293.15–473.15 K and pressures up to 35–37.5 MPa. The density was measured with an Anton Paar density meter (DMA HP) at 20 K and 2.5 MPa intervals. The calibration fluids were water and benzene. The combined expanded uncertainty of density taking into account the device specification and the impurities of the materials was 1 kg·m–3 (0.95 level of confidence). The experimental density data were correlated with the Tait and new modified Tait equations. The thermal expansion coefficient (αp) and isothermal compressibility (κT) were calculated with the new modified Tait equations. Moreover, the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state was used to model the density data at HTHP. In most cases, the PC-SAFT parameters are obtained from saturated vapor pressure and liquid phase density; however, these parameters were calculated from the density at HTHP in the present study. Regarding these parameters, thermodynamic properties such as the thermal expansion coefficient (αp), isothermal compressibility (κT), isobaric heat capacity (CP), and speed of sound (u) were calculated. Acceptable agreement between the results with experimental data demonstrated the accuracy of modeling with the obtained parameters.

    Copyright © 2019 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jced.9b00396.

    • Purity, density (ρ), thermal expansion coefficient (αp), refractive index (nD), and speed of sound (u), for pure components at p = 0.0815 MPa with their literature values at p = 0.1 MPa and different temperatures, comparison of experimental densities were measured with DMA HP and DSA 5000 instruments at atmospheric pressure and different temperatures, and experimental density (ρ), thermal expansion coefficient (αp), and isothermal compressibility (κT), calculated from the new modified Tait equation, and thermal expansion coefficient (αp), isothermal compressibility (κT), heat capacity (Cp), and speed of sound (u) calculated from the PC-SAFT equation for three studied solvents (PDF)

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    Journal of Chemical & Engineering Data

    Cite this: J. Chem. Eng. Data 2019, 64, 12, 5174–5184
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jced.9b00396
    Published October 15, 2019
    Copyright © 2019 American Chemical Society

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