Contrasting effect of 1-butanol and 1,4-butanediol on the triggered micellar self-assemblies of type cationic surfactants

No Thumbnail Available
Authors
Kumar, Vinod
Verma, Rajni
Satodia, Dwarkesh
Ray, Debes
Kuperkar, Ketan C.
Aswal, Vinod K.
Mitchell-Koch, Katie R.
Bahadur, Pratap
Issue Date
2021-08-09
Type
Article
Language
en_US
Keywords
Biophysics , Cationic surfactants , Dyes , Integral equations , Micelles , Molecular dynamics , Self assembly , Sulfur compounds
Research Projects
Organizational Units
Journal Issue
Alternative Title
Abstract

The self-assembly in aqueous solutions of three quaternary salt-based -type cationic surfactants with different polar head groups and identical carbon alkyl chain viz., cetylpyridinium bromide (CPB), cetyltrimethylammonium tosylate (CTAT), and cetyltriphenylphosphonium bromide (CTPPB) in the presence of 1-butanol (BuOH) and 1,4-butanediol (BTD) was investigated using tensiometry, 2D-nuclear Overhauser enhancement spectroscopy (2D-NOESY) and small angle neutron scattering (SANS) techniques. The adsorption parameters and micellar characteristics evaluated at 303.15 K distinctly showed that BuOH promotes the mixed micelle formation while BTD interfered with the micellization phenomenon. The SANS data fitted using an ellipsoid (as derived by Hayter and Penfold using the Ornstein-Zernike equation and the mean spherical approximation) and wormlike micellar models offered an insight into the micelle size/shape and aggregation number in the examined systems. The evaluated descriptors presented a clear indication of the morphology transition in cationic micelles as induced by the addition of the two alcohols. We also offer an investigation into the acceptable molecular interactions governing the differences in micelle morphologies, using the non-invasive 2D-NOESY technique and molecular modeling. The experimental observations elucidated from computational simulation add novelty to this work. Giving an account to the structural complexity in the three cationic surfactants, the molecular dynamics (MD) simulation was performed for CPB micelles in an aqueous solution of alcohols that highlighted the micelle solvation and structural transition, which is further complemented in terms of critical packing parameter (PP) for the examined systems.

Description
Click on the DOI link to access the article (may not be free).
Citation
Kumar, V., Verma, R., Satodia, D., Ray, D., Kuperkar, K., Aswal, V. K., . . . Bahadur, P. (2021). Contrasting effect of 1-butanol and 1,4-butanediol on the triggered micellar self-assemblies of C16-type cationic surfactants. Physical Chemistry Chemical Physics, 23(35), 19680-19692. doi:10.1039/d1cp01666k
Publisher
Royal Society of Chemistry
License
Journal
Volume
Issue
PubMed ID
DOI
ISSN
1463-9076
1463-9084
EISSN