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

A Thermodynamic Study of Micellization of 3-Alkyloxy-2-hydroxypropyl Trimethylammonium Chloride in Aqueous Solution

Zhang, Q.[Qian], Wang, X.[Xiuhong], Wei, X.[Xilian], Liu, J.[Jie]
J. Chem. Eng. Data 2013, 58, 3, 807-813
ABSTRACT
The detailed micellization behavior of 3-alkyloxy-2-hydroxypropyl trimethylammonium chloride (RnHTACl, n = 12, 14, 16) in aqueous solution was studied by electric conductivity, steady-state fluorescence, and isothermal titration microcalorimetry (ITC) methods. The critical micelle concentration (CMC) and degree of counterion dissociation (a0) were estimated from conductivity curves in the temperature range of 293.15 K to 323.15 K. Then the thermodynamic parameters of micellization (?Gm0, ?Hm0, and ?Sm0) were calculated by applying a mass-action model equation. On the basis of the ITC results, the CMCs and thermodynamic parameters were also estimated at 293.15 K, which were basically consistent with the results from the conductivity method. According to the Turro Yekta method, the micelle aggregation number (Nagg) of RnHTACl was determined through static luminescence quenching, and found that the decreased temperature, the elongation of the alkyl chain length or the increased concentration of RnHTACl could lead to an increase of the Nagg.
Compounds
# Formula Name
1 C18H40ClNO2 3-dodecyloxy-2-hydroxypropyltrimethylammonium chloride
2 C20H44ClNO2 3-tetradecyloxy-2-hydroxypropyltrimethylammonium chloride
3 C22H48ClNO2 3-hexadecyloxy-2-hydroxypropyltrimethylammonium chloride
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
  • 4
  • 1
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DDS-308 conductivity meter using a DJS-1C Pt electrode
  • 126
  • POMD
  • 4
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DDS-308 conductivity meter using a DJS-1C Pt electrode
  • 91
  • POMD
  • 3
  • 4
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Amount concentration (molarity), mol/dm3 - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DDS-308 conductivity meter using a DJS-1C Pt electrode
  • 119