Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Acetonitrile Dehydration via Extractive Distillation Using Low Transition Temperature Mixtures as Entrainers

Sharma, Bandhana, Singh, Neetu, Jain, Tarun, Kushwaha, Jai Prakash, Singh, Parminder
J. Chem. Eng. Data 2018, 63, 8, 2921-2930
ABSTRACT
Low transition temperature mixtures (LTTMs) are versatile alternatives to ILs. It shares many properties with ILs, which make them suitable to be used as entrainers for extractive distillation. In this study, glycolic acid and choline chloride in 3:1 molar ratio (GC3:1) was synthesized and evaluated as entrainer for separation of acetonitrile + water azeotropic mixture. Isobaric vapor-liquid equilibrium (VLE) data for the pseudo-binary mixtures of ACN + GC3:1 and water + GC3:1 was measured at atmospheric pressure (101.32 kPa). VLE data for the pseudo-ternary system ACN + water + GC3:1 was also measured at different LTTM molar fraction of 0.05, 0.1 and 0.15. The experimental data for these systems have been correlated by nonrandom two-liquid (NRTL) model. The Predicted values for these systems were found to be in good agreement with the experimental data. From the results, the azeotrope is eliminated using GC3:1 by the means of improving their relative volatility. Hence, GC3:1 is an effective entrainer for separating the acetonitrile + water binary azeotropic system. Furthermore, GC3:1 synthesized in this study was also investigated for its recoverability. 1. INTRODUCTION Acetonitrile (ACN), an important organic solvent, is widely used in many fields such as pharmaceuticals,1 liquid chromatography,2 organic synthesis,3 and photosensitive material.4 In chemical industries, there are several processes which produce mixtures of acetonitrile and water. Inhalation of higher concentrations of acetonitrile causes irritation of mucous membranes and can lead to many other health related problems.5 Acetonitrile induces toxic effects similar to that observed in acute cyanide poisoning; although, it shows some-what delayed symptoms compared to inorganic cyanides or many other saturated nitriles. It may enter in the environment through process plants effluent, municipal wastewater treatment plant's discharges or spills.
Compounds
# Formula Name
1 C2H3N acetonitrile
2 C2H4O3 2-hydroxyethanoic acid
3 C5H14ClNO choline chloride
4 H2O water
5 C3H8O propan-2-ol
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 5
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 20
  • POMD
  • 5
  • 4
  • Mole fraction - 5 ; Gas
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • chromatography and titration
  • 20
  • POMD
  • 2
  • 3
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 15
  • POMD
  • 2
  • 3
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 14