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Issue 44, 2018
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Molecular thermodynamic modeling of a bilayer perforation in mixed catanionic surfactant systems

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Abstract

Perforated bilayers play an essential role in biology and in surface science. Here, we extend the classical aggregation model of catanionic surfactant mixtures to describe perforations in a self-assembled bilayer in aqueous salt. The model predicts that changing solution salinity and anionic-to-cationic surfactant ratio may lead to the spontaneous formation of pores in the bilayer and to the assembly of a micellar network. We estimate the dimensions of an optimal pore as a function of solution salinity and aggregate composition and show that with an increase of concentration of the deficient surfactant in a catanionic mixture, both the diameter and the thickness of the optimal pore decrease. This decrease is stronger for pores enriched in surfactant having a longer tail than for the pores enriched in the oppositely charged surfactant with a shorter tail. Our model helps to quantify the driving forces for the formation of a pore in a catanionic bilayer and to understand its role. For the aqueous mixtures C16TAB/SOS/NaBr and DTAB/SDS/NaBr, our predictions are in reasonable although not quantitative agreement with available cryo-TEM and SANS data. Predicted radii of perforations are in the range of those obtained from SANS data for perforated bilayer disks.

Graphical abstract: Molecular thermodynamic modeling of a bilayer perforation in mixed catanionic surfactant systems

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Publication details

The article was received on 19 Jul 2018, accepted on 15 Oct 2018 and first published on 16 Oct 2018


Article type: Paper
DOI: 10.1039/C8CP04593C
Citation: Phys. Chem. Chem. Phys., 2018,20, 27924-27929
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    Molecular thermodynamic modeling of a bilayer perforation in mixed catanionic surfactant systems

    K. A. Emelyanova and A. I. Victorov, Phys. Chem. Chem. Phys., 2018, 20, 27924
    DOI: 10.1039/C8CP04593C

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