Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurements and modeling of LLE and HE for (methanol + 2,4,4-trimethyl-1-pentene), and LLE for (water + methanol + 2,4,4-trimethyl-1-pentene)

Mardani, S.[Saeed], Laavi, H.[Helena], Bouget, E.[Emeline], Pokki, J.-P.[Juha-Pekka], Uusi-Kyyny, P.[Petri], Alopaeus, V.[Ville]
J. Chem. Thermodyn. 2015, 85, 120-128
ABSTRACT
Excess enthalpy (HE) for the binary system of (methanol + 2,4,4-trimethyl-1-pentene) (TMP-1) is reported at T = 298.15 K and 101 kPa. (Liquid + liquid) equilibrium (LLE) for the same system is measured at atmospheric pressure (101 kPa). LLE for ternary system of (water + methanol + 2,4,4-trimethyl-1-pentene) is measured at T = (283 and 298) K. The parameters of Non-Random Two-Liquid (NRTL) model were regressed for the system of (methanol + TMP-1) using HE and LLE from this work combined with isobaric (101 kPa) and isothermal (T = 331 K) VLE data from literature. The NRTL parameters for the binary system of (water + TMP-1) were fitted to a binary LLE data set from literature. NRTL parameters for the binary system of (water + methanol) were taken from ASPEN PLUS. The LLE for the ternary system was modeled by the three binary NRTL interaction parameters systems. The binary and ternary models were compared against the measured data.
Compounds
# Formula Name
1 C8H16 2,4,4-trimethyl-1-pentene
2 CH4O methanol
3 H2O water
4 C3H8O propan-2-ol
5 C6H12 cyclohexane
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Flow calorimetry
  • 10
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 6
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 6
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 16
  • POMD
  • 2
  • 1
  • 3
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 158
  • POMD
  • 2
  • 1
  • 3
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • Titration method
  • Titration method
  • 46
  • POMD
  • 4
  • 5
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 9