Self-assembly and micellar transition in CTAB solutions triggered by 1-Octanol
Kumar, Vinod Mitchell-Koch, Katie R. Marapureddy, Sai Geetha Verma, Rajni Thareja, Prachi Kuperkar, Ketan C. Bahadur, Pratap
Kumar, Vinod
Mitchell-Koch, Katie R.
Marapureddy, Sai Geetha
Verma, Rajni
Thareja, Prachi
Kuperkar, Ketan C.
Bahadur, Pratap
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2022-10-13
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Anions,Fluid dynamics,Micelles,Molecules,Surfactants
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Vinod Kumar, Katie R. Mitchell-Koch, Sai Geetha Marapureddy, Rajni Verma, Prachi Thareja, Ketan Kuperkar, and Pratap Bahadur
The Journal of Physical Chemistry B 2022 126 (40), 8102-8111 DOI: 10.1021/acs.jpcb.2c05636
Abstract
This study exploits higher-order micellar transition ranging from ellipsoidal to rodlike to wormlike induced by 1-octanol (C$_8$OH) in an aqueous solution of cetyltrimethylammonium bromide (CTAB), characterizing phase behavior, rheology, and small-angle neutron scattering (SANS). The phase diagram for the ternary system CTAB–C$_8$OH–water was constructed, which depicted the varied solution behavior. Such performance was further inferred from the rheology study (oscillatory-shear frequency sweep (ω) and viscosity (η)) that displayed an interesting solution behavior of CTAB solutions as a function of C$_8$OH. It was observed that at low C$_8$OH concentrations, the solutions appeared viscous/viscoelastic fluids that changed to an elastic gel with an infinite relaxation time at higher concentrations of C8OH, thereby confirming the existence of distinct micelle morphologies. Small-angle neutron scattering (SANS) provided various micellar parameters such as aggregation numbers ($N_{agg}$) and micellar size/shape. The experimental results were further validated with a computational simulation approach. The molecular dynamic (MD) study offered an insight into the molecular interactions and aggregation behavior through different analyses, including radial distribution function (RDF), radius of gyration (R$_g$), and solvent-accessible surface area (SASA).
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American Chemical Society
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The Journal of Physical Chemistry B
Volume 126, No. 40
Volume 126, No. 40
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1520-6106