Atomistic simulation of oligoelectrolyte multilayers growth
- Author(s)
- Pedro A. Sánchez, Jens Smiatek, Baofu Qiao, Marcello Sega, Christian Holm
- Abstract
We simulate at the atomistic scale the layer-by-layer growth of a four layers thin film of poly(diallyl dimethyl ammonium chloride)/poly(styrene sulfonate sodium salt) oligomers adsorbed on a silica substrate. The simulation is intended to provide atomistic details on the structure of a swollen multilayer in solutions with different concentrations of added salt ions. The scale of the simulated system has been chosen to produce, at a minimum computing cost, a reasonable estimation of some selected mesoscopic structural parameters that are measurable with current experimental techniques.
- Organisation(s)
- Computational and Soft Matter Physics
- External organisation(s)
- Universität Stuttgart, Northwestern University
- Pages
- 215-228
- No. of pages
- 14
- DOI
- https://doi.org/10.1007/978-3-319-24633-8_14
- Publication date
- 2015
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103006 Chemical physics
- ASJC Scopus subject areas
- General Physics and Astronomy, General Mathematics, General Chemistry, General Computer Science
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/3b6cd63f-81bd-4e9e-be49-3e7a33a9ebc1