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

Ole Riechert, Tim Zeiner, Gabriele Sadowski

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

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.

Originalspracheenglisch
Seiten (von - bis)2098-2103
Seitenumfang6
FachzeitschriftJournal of chemical and engineering data
Jahrgang60
Ausgabenummer7
DOIs
PublikationsstatusVeröffentlicht - 9 Jul 2015

Fingerprint

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)

Dies zitieren

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

in: Journal of chemical and engineering data, Jahrgang 60, Nr. 7, 09.07.2015, S. 2098-2103.

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

Riechert, Ole ; Zeiner, Tim ; Sadowski, Gabriele. / Phase Equilibria in Systems of Morpholine, Acetonitrile, and n -Alkanes. in: Journal of chemical and engineering data. 2015 ; Jahrgang 60, Nr. 7. S. 2098-2103.
@article{7fd96f5a7ec8458c8e8e5137939387b5,
title = "Phase Equilibria in Systems of Morpholine, Acetonitrile, and n -Alkanes",
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.",
author = "Ole Riechert and Tim Zeiner and Gabriele Sadowski",
year = "2015",
month = "7",
day = "9",
doi = "10.1021/acs.jced.5b00175",
language = "English",
volume = "60",
pages = "2098--2103",
journal = "Journal of chemical and engineering data",
issn = "0021-9568",
publisher = "American Chemical Society",
number = "7",

}

TY - JOUR

T1 - Phase Equilibria in Systems of Morpholine, Acetonitrile, and n -Alkanes

AU - Riechert, Ole

AU - Zeiner, Tim

AU - Sadowski, Gabriele

PY - 2015/7/9

Y1 - 2015/7/9

N2 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=84937408913&partnerID=8YFLogxK

U2 - 10.1021/acs.jced.5b00175

DO - 10.1021/acs.jced.5b00175

M3 - Article

VL - 60

SP - 2098

EP - 2103

JO - Journal of chemical and engineering data

JF - Journal of chemical and engineering data

SN - 0021-9568

IS - 7

ER -