Salt effects on the growth of mixed anionic/zwitterrionic surfactant micelles
- 1CEA Saclay , , ,
- 2PSL University , , ,
- 3L’Oréal Group , , ,
Abstract
We investigate the changes in 3:1 mixed SDS/CAPB surfactant solutions (at the 400 mM scale) as adding alkali/halide salts up to a concentration of 2.5M using coarse grained molecular dynamics simulations coupled with a Hamiltonian Replica Exchange scheme and by accounting for long range electrostatic effects. As adding salt, micelle properties (size, morphology, degree of neutralization, equilibrium between surfactant chains within 'end cap' and 'cylindrical' micellar subdomains) as well as surfactant solution shear viscosities all obey a linear regime until a salt concentration of about 1M.Then they obey a new regime in which they all fastly and non linearly diverge, in line with available experimental evidences regarding similar mixed anionic/zwitterrionic surfactant solutions. Interestingly the transition between those two regimes can be rationalized by considering an equilibrium between only SDS chains in 'end cap' and 'cylindrical' micelle domains (according to the pseudo-phase thermodynamic framework), with CAPB chains taken into account implicitly. Our simulation protocol appears to be a promising tool to investigate the effects of co-surfactant and/or hydrophobic (fragrance) molecules on surfactant solutions.
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BibTeX
@article{masella2026salt,
title = {{Salt effects on the growth of mixed anionic/zwitterrionic surfactant micelles}},
author = {Michel Masella and Céline Houriez and Fabien Léonforté},
journal = {ACS Omega},
year = {2026},
month = oct,
doi = {10.1021/acsomega.6c07682},
url = {https://hal.science/hal-05662435v2},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Salt effects on the growth of mixed anionic/zwitterrionic surfactant micelles
AU - Michel Masella
AU - Céline Houriez
AU - Fabien Léonforté
PY - 2026
DA - 2026/10/16
JO - ACS Omega
DO - 10.1021/acsomega.6c07682
UR - https://hal.science/hal-05662435v2
AB - We investigate the changes in 3:1 mixed SDS/CAPB surfactant solutions (at the 400 mM scale) as adding alkali/halide salts up to a concentration of 2.5M using coarse grained molecular dynamics simulations coupled with a Hamiltonian Replica Exchange scheme and by accounting for long range electrostatic effects. As adding salt, micelle properties (size, morphology, degree of neutralization, equilibrium between surfactant chains within 'end cap' and 'cylindrical' micellar subdomains) as well as surfactant solution shear viscosities all obey a linear regime until a salt concentration of about 1M.Then they obey a new regime in which they all fastly and non linearly diverge, in line with available experimental evidences regarding similar mixed anionic/zwitterrionic surfactant solutions. Interestingly the transition between those two regimes can be rationalized by considering an equilibrium between only SDS chains in 'end cap' and 'cylindrical' micelle domains (according to the pseudo-phase thermodynamic framework), with CAPB chains taken into account implicitly. Our simulation protocol appears to be a promising tool to investigate the effects of co-surfactant and/or hydrophobic (fragrance) molecules on surfactant solutions.
SN - 2470-1343
ER -