Thermophysical properties of chloropropanes in liquid phase: Experiments and simulations

B Jasiok and M Chorazewski and AA Pribylov and EB Postnikov and P Friant-Michel and C Millot, JOURNAL OF MOLECULAR LIQUIDS, 358, 119137 (2022).

DOI: 10.1016/j.molliq.2022.119137

In this work, the properties of liquid 1-chloropropane, 2-chloropropane and 1,3-dichloropropane are investigated. The Span-Wagner equation of state (EoS) is used to improve the existing thermophysical properties as a function of the temperature and pressure of these chloropropanes. For 1-chloropropane and 2-chloropropane, the thermophysical properties are compared with Molecular Dynamics simulation results performed in the range of temperature 293.15-373.15 K and the range of pressure 0.1-200 MPa. In addition, for both monochloropropanes, the isobaric thermal expansion coefficient obtained from Span-Wagner EoS and MD simulations is compared with the one obtained from the recently proposed Daridon's method. (c) 2022 Elsevier B.V. All rights reserved.

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