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

Effect of Cosolvents DMSO and Glycerol on the Self-Assembly Behavior of SDBS and CPC: An Experimental and Theoretical Approach

Sharma, Vivek, Cantero-Lopez, Plinio, Yanez-Osses, Osvaldo, Kumar, Ashish
J. Chem. Eng. Data 2018, 63, 8, 3083-3096
ABSTRACT
The study of the effect of co-solvents on micellization of ionic surfactants is relevant in different industrial applications. In this paper, we studied the effect of binary aqueous mixtures of DMSO and Glycerol on the micellization and thermodynamic behavior of Sodium dodecyl benzene sulfonate (SDBS) and Cetyl pyridinium chloride (CPC) in a range of ( 293.15 - 308.15) K. Electrical conductivity method was employed to determine parameters of micellization like critical micellar concentrations (CMC) and degree of counterion dissociation (). The temperature dependence of CMC values was used to calculate other thermodynamic parameters of micellization i.e., standard free energy of micellization (G ), standard enthalpy of micellization (H ) and standard entropy of micellization (S ). Result analysis showed that the CMC's of both the surfactants (SDBS and CPC) were directly proportional to co -solvent concentration. The standard free energy of micellization (G ) was negative in all cases and it increased with an increase in co-solvent concentrations thereby reducing the driving force for micellization process. Quantum chemical calculations and molecular dynamic (MD) simulations were essential to understand the phenomena and have a well-supported molecular picture of micellization process.
Compounds
# Formula Name
1 C21H38ClN cetylpyridinium chloride
2 C3H8O3 glycerol
3 C2H6OS dimethyl sulfoxide
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
  • Alternating current cell with electrodes
  • 44
  • POMD
  • 1
  • 2
  • 4
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 176
  • POMD
  • 1
  • 3
  • 4
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 176