Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling

Ostonen, A.[Alexandr], Uusi-Kyyny, P.[Petri], Pakkanen, M.[Minna], Alopaeus, V.[Ville]
Fluid Phase Equilib. 2016, 408, 79-87
ABSTRACT
Dew points of pure 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) and 1,8-diazabicyclo[5.4.0]undec-7-ene(DBU) were measured using low pressure distillation. The distillation experiments were conducted withina 0.5 - 12.1 kPa pressure range. The measured dew point data were in good agreement with the vaporpressure data available in the open literature. The combined measured dew point and literature vaporpressure data were modeled using an Antoine type equation.Vapor-liquid equilibrium (VLE) of water + DBN and water + DBU systems were measured using two variations of a static total pressure method. The VLE measurements were conducted within a 313 - 353 K temperature range. The results indicate a negative deviation from Raoult's law for both systems. Legendre polynomial and NRTL activity coefficient models were used to describe the liquid phases of the systems.
Compounds
# Formula Name
1 C7H12N2 1,5-diazabicyclo[4.3.0]non-5-ene
2 C9H16N2 1,8-diaza-7-bicyclo[5.4.0]undecene
3 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
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • distillation unit - dew point temperature
  • 18
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • distillation unit - dew point temperature
  • 19
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 63
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • Model Smoothing
  • 63
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 42
  • POMD
  • 2
  • 3
  • Mole fraction - 3 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • Model Smoothing
  • 42