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A simulation study of self-assembly behaviors and micellization properties of mixed ionic surfactants


K. M. Sachin, Sameer A. Karpe, Dileep Kumar, Man Singh, Hector Dominguez, Marlene Ríos-López, Ajaya Bhattarai

Source title: 
Journal of Molecular Liquids, 336: 116003, 2021 (ISI)
Academic year of acceptance: 

The simulation and micellization studies of dodecyltrimethylammonium bromide (DTAB) and sodiumdodecyl sulfate (SDS) mixed surfactant systems in an aqueous medium are noted. The critical micelle concentration (CMC) of mixed surfactants and different bulk properties were determined by using viscosity data. The physicochemical properties infer the various structural activities in ionic interaction, hydrogen bonding, London dispersive forces, activation energy, surface energy, van der Waal forces, ion-hydrophilic and ion-hydrophobic, and others. The synergistic interaction was observed in the mixed surfactants system, and the activity coefficients were compared with the different theoretical models. A refractometric study of anionic-rich and cationic-rich in the presence and absence of Methylene Blue (MB) and Methyl orange (MO) in aqueous solutions is carried out at T = 298.15 K. The study of spectrum of single and mixed surfactants at the CMC level through the attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy based on change frequency are discussed.

The phase behavior of DTAB concentrations were varied from 0.0001 to 0.03 mol ∙ L-1 with 0.01 mol ∙ L-1 SDS (DTAB-rich), and SDS concentration from 0.001 to 0.015 mol ∙ L-1 with 0.005 mol ∙ L-1 DTAB (SDS-rich).