Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Molar excess enthalpy (Hm E) for systems of aqueous piperazine derivatives

Poozesh, S.[Saeed], Rayer, A. V.[Aravind V.], Henni, A.[Amr]
J. Chem. Thermodyn. 2015, 90, 242-250
ABSTRACT
Molar excess enthalpies (HE m) of aqueous1-methyl piperazine (1-MPZ), 4-(2-hydroxy ethyl) morpholine (4,2-HEMO), 1,4-dimethyl piperazine (1,4-DMPZ), 1-(2-hydroxyethyl) piperazine (1,2-HEPZ), 3-morpholinopropyl amine (3-MOPA), morpholine (MO) were reported at three different temperatures T = (298.15, 313.15, and 323.15) K and over the entire range of mole fractions. The Redlich Kister (RK) equation was used to correlate the experimentally measured HE m values as a function of mole fractions. The molar enthalpies of amines and water at infinite dilutions were determined from the RK coefficients. Among the studied solution theory models to correlate the experimental data, the modified UNIFAC (UNIversal Functional groups Activity Coefficient, Dortmund) model exhibited the lowest percentage of average absolute deviations from the experimental data, followed by the NRTL (Non-Random Two Liquid) model and the UNIQUAC (UNIversal QUAsi Chemical) model. Among the six amines studied, the {1-MPZ + water} system exhibited the highest values of molar excess negative enthalpies followed by {3-MOPA + H2O}, {1,2-HEPZ + H2O}, {MO + H2O}, {1,4-DMPZ + H2O} and {4,2-HEMO + H2O} systems.
Compounds
# Formula Name
1 C5H12N2 N-methylpiperazine
2 C6H13NO2 4-morpholineethanol
3 C6H14N2 1,4-dimethylpiperazine
4 C6H14N2O N-(2-hydroxyethyl)piperazine
5 C7H16N2O N-(3-aminopropyl)morpholine
6 C4H9NO tetrahydro-1,4-oxazine
7 H2O water
8 C4H11NO2 diethanolamine
9 C5H13NO2 N-methyldiethanolamine
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
  • 8
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Calvet calorimetry
  • 9
  • POMD
  • 9
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Calvet calorimetry
  • 10
  • POMD
  • 1
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 36
  • POMD
  • 3
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 36
  • POMD
  • 4
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 36
  • POMD
  • 2
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 36
  • POMD
  • 5
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 36
  • POMD
  • 6
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 36