Measurement and modeling of phase equilibria in systems of acetonitrile, n-alkanes, and β-myrcene

Ole Riechert, Tim Zeiner, Gabriele Sadowski

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

Abstract

This work presents a modeling approach using the Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) for new liquid-liquid equilibria (LLE) data of ternary systems containing β-myrcene, acetonitrile, and n-alkanes, as well as binary mixtures thereof. The modeling approach is based on parameter estimations from binary systems and allows a general prediction of acetonitrile/n-alkane systems' LLE and their ternary mixtures' LLE with β-myrcene. The binary mixtures' vapor-liquid equilibria (VLE) of β-myrcene with acetonitrile and n-alkanes were measured at 100 mbar. The ternary systems' LLE were measured at ambient pressure and 298.15 K. Experimentally investigated alkanes are n-hexane, n-heptane, and n-octane. The approach was validated by successfully predicting the ternary system containing n-dodecane.

Originalspracheenglisch
Seiten (von - bis)1153-1160
Seitenumfang8
FachzeitschriftIndustrial & engineering chemistry research
Jahrgang54
Ausgabenummer3
DOIs
PublikationsstatusVeröffentlicht - 28 Jan 2015

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Alkanes
Acetonitrile
Phase equilibria
Paraffins
Liquids
Ternary systems
Binary mixtures
acetonitrile
myrcene
Heptane
Hexane
Parameter estimation
Fluids

ASJC Scopus subject areas

  • !!Chemical Engineering(all)
  • !!Chemistry(all)
  • !!Industrial and Manufacturing Engineering

Dies zitieren

Measurement and modeling of phase equilibria in systems of acetonitrile, n-alkanes, and β-myrcene. / Riechert, Ole; Zeiner, Tim; Sadowski, Gabriele.

in: Industrial & engineering chemistry research, Jahrgang 54, Nr. 3, 28.01.2015, S. 1153-1160.

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

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