Thermodynamics Research Center / ThermoML | Thermochimica Acta

Physicochemical and thermodynamic characterization of N-alkyl-N-methylpyrrolidinium bromides and its aqueous solutions

Zawadzki, M.[Maciej], Krolikowska, M.[Marta], Lipinski, P.[Pawel]
Thermochim. Acta 2014, 589, 148-57
ABSTRACT
This work is a continuation of our research of ionic liquids to investigate the physicochemical and thermodynamic properties of (ionic liquid + water) binary mixtures as a novel alternative working pair for the absorption heat pump cycle. In this work, a series of organic salts: N-propyl-N-methylpyrrolidinium bromide, [C1C3PYR]Br; N-butyl-N-methylpyrrolidinium, [C1C4PYR]Br and N-pentyl-Nmethylpyrrolidinium bromide, [C1C5PYR]Br have been synthesized. The structures of new compounds have been confirmed using NMR spectra and elementary analysis. The basic thermal characterization of pure ILs, including temperature and enthalpy of phase transition (Ttr, AtrH), temperature and enthalpy of melting (Tm, AmH) have been measured using a differential scanning microcalorimetry technique (DSC). Decomposition temperature of the tested ILs were detected by the simultaneous TG/DTA experiments. The effect of temperature on the density (n) and dynamic viscosity (c) is reported over a wide temperature range from (298.15 to 343.15) K at ambient pressure. From experimental density data, the excess molar volumes (VE) were calculated and correlated using Redlich - Kister equation. The isothermal vapour - liquid phase equilibria (VLE) have been measured by an ebulliometric method at wide temperature range from (328.15 to 368.15) K and pressure up to 85 kPa. Experimental data have been correlated by means of NRTL equation. The solid - liquid phase equilibria (SLE) for the tested binary mixtures have been determined over whole composition range using dynamic method. The NRTL equation using parameters obtained from the VLE gives good description of SLE data. The influence of the alkyl chain length in the pyrrolidinium cation on the presented physicochemical and thermodynamic properties were discussed.
Compounds
# Formula Name
1 C8H18BrN 1-methyl-1-propylpyrrolidinium bromide
2 C9H20BrN 1-butyl-1-methylpyrrolidinium bromide
3 C10H22BrN 1-methyl-1-pentylpyrrolidinium bromide
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
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Gas
  • DSC
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 10
  • POMD
  • 2
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Gas
  • DSC
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 10
  • POMD
  • 3
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Gas
  • DSC
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 10
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 10
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 4
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 10
  • POMD
  • 4
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 120
  • POMD
  • 4
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 110
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 64
  • POMD
  • 4
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 120
  • POMD
  • 4
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 110
  • POMD
  • 4
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 61
  • POMD
  • 4
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 130
  • POMD
  • 4
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 120
  • POMD
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 54