Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Experimental studies and thermodynamic analysis of isobaric vapor-liquid-liquid equilibria of 2-propanol + water system using n-propyl acetate and isopropyl acetate as entrainers

Devi, V.K.P. Janakey, Sai, P.S.T., Balakrishnan, A.R.
Fluid Phase Equilib. 2017, 454, 22-34
ABSTRACT
Heterogeneous azeotropic distillation is a widely used technique in chemical industries for the purification of alcohols from their aqueous mixtures. This study aims at exploring the possibility of using n-propyl acetate and isopropyl acetate as entrainers for heterogeneous azeotropic distillation to effect the separation of 2-propanol + water azeotropic mixture. A novel yet simple still was constructed to measure the vapor-liquid equilibrium (VLE) and vapor-liquid-liquid equilibrium (VLLE) data for the binary and ternary systems. The isobaric VLE data for the binary systems 2-propanol + water, 2-propanol + n-propyl acetate and 2-propanol + isopropyl acetate and isobaric VLLE data for the ternary systems 2-propanol + water + n-propyl acetate and 2-propanol + water + isopropyl acetate were measured at atmospheric pressure. Subsequently, the experimental data was compared with predictions by thermodynamic models such as UNIFAC, UNIQUAC and NRTL. The feasibility of the entrainers n-propyl acetate and isopropyl acetate in separating the azeotropic mixture 2-propanol + water was studied using the Residue Curve Map (RCM). The experimental data showed the existence of a ternary homogeneous azeotrope in the 2-propanol + water + n-propyl acetate system and a heterogeneous ternary azeotrope in the 2-propanol + water + isopropyl acetate system. Since the heterogeneous azeotropic distillation process depends on the presence of ternary heterogeneous azeotrope, n-propyl acetate is not considered a suitable entrainer for the separation of 2-propanol + water mixture. Finally, a separation sequence for the heterogeneous azeotropic distillation of 2-propanol + water system using isopropyl acetate as entrainer has been proposed.
Compounds
# Formula Name
1 C3H8O propan-2-ol
2 C5H10O2 propyl ethanoate
3 C5H10O2 1-methylethyl ethanoate
4 H2O water
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
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 3
  • 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
  • 1
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 18
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 18
  • POMD
  • 1
  • 4
  • Azeotropic composition: mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 1
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 16
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 16
  • POMD
  • 1
  • 2
  • Azeotropic composition: mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 16
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 16
  • POMD
  • 1
  • 3
  • Azeotropic composition: mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 1
  • 4
  • 2
  • Azeotropic temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • By T(X) extreme
  • 1
  • POMD
  • 1
  • 4
  • 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 4 ; Gas
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • 15
  • POMD
  • 1
  • 4
  • 3
  • Azeotropic temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • By T(X) extreme
  • 1
  • POMD
  • 1
  • 4
  • 3
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 4 ; Gas
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • 14