Phase Equilibria in Systems of Morpholine, Acetonitrile, and n -Alkanes

Ole Riechert, Tim Zeiner, Gabriele Sadowski

Research output: Contribution to journalArticleResearchpeer-review

Abstract

This work presents investigations on the liquid-liquid equilibria (LLE) of ternary systems composed of morpholine, acetonitrile, and an n-alkane at 298.15 K and atmospheric pressure. The investigated n-alkanes were n-hexane, n-heptane, and n-octane. The experimental data were compared to predictions using the perturbed chain-statistical associating fluid theory (PC-SAFT). The predictions are based on pure-component parameters fitted to vapor pressures and liquid densities as well as on binary parameters fitted to binary systems' phase equilibria. For that purpose, the vapor-liquid equilibrium of the morpholine/acetonitrile system was measured at 100 mbar and modeled with PC-SAFT. Binary interaction parameters for acetonitrile/n-alkane systems were obtained from a correlation as a function of the n-alkane carbon number. This correlation, together with the other pure-component and binary parameters, was used to make predictions on ternary systems with n-alkanes longer than n-octane, for which data were taken from literature. All ternary LLE predictions were in satisfactory agreement with experimental data.

Original languageEnglish
Pages (from-to)2098-2103
Number of pages6
JournalJournal of chemical and engineering data
Volume60
Issue number7
DOIs
Publication statusPublished - 9 Jul 2015

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Alkanes
Acetonitrile
Phase equilibria
Paraffins
Liquids
Ternary systems
Density of liquids
Fluids
Heptane
Hexane
Vapor pressure
Atmospheric pressure
Carbon
morpholine
acetonitrile

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

Cite this

Phase Equilibria in Systems of Morpholine, Acetonitrile, and n -Alkanes. / Riechert, Ole; Zeiner, Tim; Sadowski, Gabriele.

In: Journal of chemical and engineering data, Vol. 60, No. 7, 09.07.2015, p. 2098-2103.

Research output: Contribution to journalArticleResearchpeer-review

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AB - This work presents investigations on the liquid-liquid equilibria (LLE) of ternary systems composed of morpholine, acetonitrile, and an n-alkane at 298.15 K and atmospheric pressure. The investigated n-alkanes were n-hexane, n-heptane, and n-octane. The experimental data were compared to predictions using the perturbed chain-statistical associating fluid theory (PC-SAFT). The predictions are based on pure-component parameters fitted to vapor pressures and liquid densities as well as on binary parameters fitted to binary systems' phase equilibria. For that purpose, the vapor-liquid equilibrium of the morpholine/acetonitrile system was measured at 100 mbar and modeled with PC-SAFT. Binary interaction parameters for acetonitrile/n-alkane systems were obtained from a correlation as a function of the n-alkane carbon number. This correlation, together with the other pure-component and binary parameters, was used to make predictions on ternary systems with n-alkanes longer than n-octane, for which data were taken from literature. All ternary LLE predictions were in satisfactory agreement with experimental data.

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