Polyethyleneimine loaded inverse SDS micelle in pentanol/toluene media
- 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. (C) 2016 Elsevier B.V. All rights reserved.
| Author details: | Armen H. PoghosyanORCiD, Levon H. Arsenyan, Aram A. Shahinyan, Joachim KoetzORCiDGND |
|---|---|
| DOI: | https://doi.org/10.1016/j.colsurfa.2016.07.018 |
| ISSN: | 0927-7757 |
| ISSN: | 1873-4359 |
| Title of parent work (English): | Colloids and surfaces : an international journal devoted to the principles and applications of colloid and interface science ; A, Physicochemical and engineering aspects |
| Publisher: | Elsevier |
| Place of publishing: | Amsterdam |
| Publication type: | Article |
| Language: | English |
| Year of first publication: | 2016 |
| Publication year: | 2016 |
| Release date: | 2020/03/22 |
| Tag: | Microemulsions; Molecular dynamics simulations; Polyethyleneimine; SDS inverse micelle |
| Volume: | 506 |
| Number of pages: | 7 |
| First page: | 402 |
| Last Page: | 408 |
| Funding institution: | EC [HORIZON2020-675121-VI-SEEM] |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| Peer review: | Referiert |
