Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Temperature dependences of limiting activity coefficients and Henry s law constants for N-methylpyrrolidone, pyridine, and piperidine in water

Bernauer, M.[Milan], Dohnal, V.[Vladimir]
Fluid Phase Equilib. 2009, 282, 2, 100-107
ABSTRACT
Limiting activity coefficients ( 1 ) of N-methylpyrrolidone (NMP), pyridine, and piperidine inwaterwere measured at several temperatures in the range from 333K to 373 K. Three experimental techniques, namely Rayleigh distillation, differential distillation, and the method of circulation still, were employed for the purpose. A comprehensive review is further presented of experimental data on the limiting activity coefficients 1 , infinite dilution partial molar excess enthalpies ( PH E, 1 ), and heat capacities ( PC E, p,1 ) of these aqueous solutes. Additionally, to verify fragmentary literature information, solution heat capacity for NMP was also determined in this work using Picker flow microcalorimeter. For each solute, the compiled data were critically evaluated and together with the data measured in this work correlated with a suitable model equation providing adequate simultaneous description of the equilibrium measurements and the calorimetric information. As a result, a recommended thermodynamically consistent temperature dependence of 1 was established in the range from the melting point to the normal boiling point of water. Analogous recommendations were derived also for the temperature dependence of the Henry fs law constants (kH).
Compounds
# Formula Name
1 C5H9NO N-methylpyrrolidone
2 C5H5N pyridine
3 C5H11N piperidine
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
  • 4
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • differential distillation, circulation still
  • 4
  • POMD
  • 1
  • 4
  • Excess molar heat capacity, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Flow calorimetry
  • 1
  • POMD
  • 2
  • 4
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Rayleigh distillation, circulation still
  • 4
  • POMD
  • 3
  • 4
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Rayleigh distillation, circulation still
  • 4