Kinetics of aggregation and relaxation in micellar surfactant solutions
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 …
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 …
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
Surfactants are molecular structures with remarkable physicochemical properties and
applications. Most of their characteristics are due to their ability to promote aggregation 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
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) …
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
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 …
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
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 …
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
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 …
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 …
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 …
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
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 …
and solubilization in aqueous solutions that contain decane, ionic and nonionic surfactants …