Kinetics of aggregation and relaxation in micellar surfactant solutions

AK Shchekin, LT Adzhemyan, IA Babintsev, NA Volkov - Colloid Journal, 2018 - Springer
Theoretical results published in the last 17 years on the kinetics of aggregation and
relaxation in micellar surfactant solutions have been reviewed. The results obtained by the …

Pair entropy and universal viscosity scaling for molecular systems via molecular dynamics simulations

BI Nikitiuk, DI Salikova, ND Kondratyuk… - Journal of Molecular …, 2022 - Elsevier
The scaling between the excess entropy and transport coefficients of liquids is an interesting
property found by Rosenfeld in atomistic simulations. Later, Dzugutov proposed to estimate …

Molecular dynamics simulations of cetyltrimethylammonium bromide (CTAB) micelles and their interactions with a gold surface in aqueous solution

JA Silva, RP Dias, GCA Hora, TA Soares… - Journal of the Brazilian …, 2018 - SciELO Brasil
Surfactants are molecular structures with remarkable physicochemical properties and
applications. Most of their characteristics are due to their ability to promote aggregation and …

Structure and dynamics of ionic micelles: MD simulation and neutron scattering study

B Aoun, VK Sharma, E Pellegrini, S Mitra… - The Journal of …, 2015 - ACS Publications
Fully atomistic molecular dynamics (MD) simulations have been carried out on sodium
dodecyl sulfate (SDS), an anionic micelle, and three cationic (C n TAB; n= 12, 14, 16) …

Molecular dynamics study of salt influence on transport and structural properties of SDS micellar solutions

NA Volkov, NV Tuzov, AK Shchekin - Fluid Phase Equilibria, 2016 - Elsevier
The results of all-atom molecular dynamics simulations of micellization in the salt-free
sodium dodecyl sulphate (SDS) aqueous solution and in the solution with added 1: 1 salt …

The effect of simulation cell size on the diffusion coefficient of an ionic surfactant aggregate

NA Volkov, MV Posysoev, AK Shchekin - Colloid Journal, 2018 - Springer
Results of all-atom molecular dynamics simulation have been presented for salt-free
aqueous solutions of sodium dodecyl sulfate at its fixed total concentration in a simulation …

Molecular modeling of ionic aggregates at several concentrations of SDS in aqueous solution

NA Volkov, AK Shchekin, NV Tuzov… - Journal of Molecular …, 2017 - Elsevier
The results of molecular modeling of ionic surfactant self-aggregation in sodium dodecyl
sulphate (SDS) aqueous solutions, both salt-free and with addition of NaCl, are reported …

Diffusion in micellar systems: theory and molecular modelling

AI Rusanov, AK Shchekin… - Russian Chemical Reviews, 2017 - iopscience.iop.org
Recent development of experimental methods of investigation of diffusion in micellar
systems and rethinking of the available material led to an increase in the number of …

Relative contribution of cationic surfactant and counter-anion to a liquid film tension

CM Phan, M Haseeb - Journal of Molecular Liquids, 2020 - Elsevier
A model was developed to predict the bubble deformation in the presence of a charged
surface. The model was successfully verified with a bubble containing a cationic surfactant …

Molecular Dynamics of Decane Solubilization and Diffusion of Aggregates Consisting of Surfactant and Decane Molecules in Aqueous Solutions

NA Volkov, YA Eroshkin, AK Shchekin, IN Koltsov… - Colloid Journal, 2021 - Springer
All-atom molecular dynamics has been employed to study the processes of self-aggregation
and solubilization in aqueous solutions that contain decane, ionic and nonionic surfactants …