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

Thermodynamic Study of Four {Methylpiperidine + Water} Systems: New Experimental Data and Challenging Modeling for the Simultaneous Representation of Liquid-Liquid Equilibrium and Energetic Properties

Moine, Edouard, Coulier, Yohann, Coxam, Jean-Yves, Ballerat-Busserolles, Karine, Privat, Romain
J. Chem. Eng. Data 2019, 64, 2, 743-754
ABSTRACT
In carbon capture processes based on chemical absorption, the solution used for absorbing carbon dioxide plays a central role and must be carefully selected. It is expected to have the potential to capture large amounts of carbon dioxide on the one hand, and to be fully regenerated at the lowest energy price on the other hand. As a continuation of a study initiated by Coulier et al. some years ago, the present work focuses on the measurement and modelling of thermodynamic properties of aqueous solvents containing methylpiperidines (a class of amines), potentially usable in carbon capture processes and leading to liquid-liquid phase split in process conditions. To complete liquid-liquid equilibrium (LLE), excess enthalpy and excess heat capacity data previously measured by Coulier et al. for the Nmethylpiperidine + water and 2-methylpiperidine + water systems, LLE data and excessenthalpy data were measured for the 3-methylpiperidine + water and 4-methylpiperidine + water systems. To model all these data, a NRTL type activity-coefficient model was identified among a ten of models as the most reliable one. Due to the complex nature of interactions governing this type of systems, no less than 10 binary interaction parameters were necessary to ensure qualitative and quantitative correlations of our experimental data.
Compounds
# Formula Name
1 C6H13N 3-methylpiperidine
2 C6H13N 4-methylpiperidine
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
  • 3
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 9
  • POMD
  • 1
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Calvet calorimetry
  • 91
  • POMD
  • 2
  • 3
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 9
  • POMD
  • 2
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Calvet calorimetry
  • 90