Thermophysical Properties of the Medium-Chain 1-Alkyl Halides in a Wide Range of Conditions: New Experimental Data and Predictions of CP-PC-SAFT and FT-EOS

Vyacheslav V. Melent'Ev, Eugene B. Postnikov, Yuriy V. Nedyalkov, Ilya Polishuk

Research output: Contribution to journalArticlepeer-review

Abstract

This study reports experimental density and sound velocity data of 1-chloroheptane and 1-iodoheptane at 291.45 ≤ T ≤ 413.15 K and 1 ≤ P ≤ 1961 bar along with the atmospheric pressure liquid densities at 223.15 ≤ T ≤ 423.10 K, sound velocities at 216.08 ≤ T ≤ 413.15 K, and isobaric heat capacities at 223.15 ≤ T ≤ 423.15 K. The evaluated values of the auxiliary thermodynamic properties are provided as well. An analysis performed in this study is based on the entire available high-pressure database of the medium chain 1-alkyl halides. It is demonstrated that, within its applicability range, the fluctuation theory based Tait-like equation of state (FT-EOS) predicts the high-pressure experimental data in a particularly accurate manner. The performance of the critical point based perturbed chain statistical association fluid theory (CP-PC-SAFT) is dependent on the robustness of the Tc and Pc data, whose appropriate values allow reliable predictions of densities until extremely high pressures, sound velocities, heat capacities, and the available binary high-pressure phase equilibria data. The entirely predictive CP-PC-SAFT + MYS (modified Yarranton-Satyro correlation) modeling framework yields reliable viscosity estimations of 1-alkyl chlorides and their mixtures. At the same time, it accurately predicts the pressure dependence established by the viscosity of 1-bromobutane only up to ∼2000 bar and it tends to underestimate this property for 1-iodoalkanes. Investigation of trends established by CP-PC-SAFT allows making some essential assumptions about the regularities characteristic for thermophysical properties of 1-alkyl halides at elevated pressures.

Original languageEnglish
Pages (from-to)5725-5732
Number of pages8
JournalIndustrial and Engineering Chemistry Research
Volume58
Issue number14
DOIs
StatePublished - 10 Apr 2019

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Chemical Engineering
  • Industrial and Manufacturing Engineering

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