Publikation

A. H. Poghosyan, L. H. Arsenyan, A. A. Shahinyan, J. Koetz
Polyethyleneimine loaded inverse SDS micelle in pentanol/toluene media
Colloids and Surfaces A: Physicochemical and Engineering Aspects 2016, 506, 402
DOI: 10.1016/j.colsurfa.2016.07.018
An atomic scale molecular dynamics simulation (100 ns) was carried out to reveal the conformational features of a cationic polyelectrolyte, i.e., hyperbranched polyethyleneimine (PEI), inside of water-in-oil microemulsion droplets stabilized by the anionic sodium dodecyl sulfate surfactant (SDS) layer. Simulations show that the polymer reorients very quickly and is localized at the headgroup region, i.e., the polymer nitrogens are close to SDS sulfur atoms. In spite of the availability of surface roughness caused by the polymer, we track a stable inverse micelle during the production run. In overall, the obtained parameters are well compared with experimental findings.
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