Counterion and surface density dependence of the adsorption layer of ionic surfactants at the vapor-aqueous solution interface: A computer simulation study

Article Abstract:

Various computer molecular dynamics simulations are studied to understand and demonstrate the effects of the counterions and surface density on the adsorption layer of various ionic surfactants at the vapor-aqueous solution interface. The analysis reveals that the size of the cations and the surface density of the anionic surfactant highly influence the thickness of the outer plate, which is found to grow thicker in the presence of larger cations.

Surface active agents, Surface Active Agent Manufacturing, Structure

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Structure and dynamics of sulfate ion in aqueous solution: An ab initio QMCF MD simulation and large angle X-ray scattering study

Article Abstract:

The ab initio quantum mechanical charge field (QMCF) molecular dynamics (MD) simulation and large angle X-ray scattering (LAXS) methods are applied to study the structural and dynamic aspects of hydrated sulfate ions. The findings suggest that weak structure-forming ability of sulfate could be quantified by an analysis of the solution dynamics.

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