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.
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CITATION STYLE
Sánchez, P. A., Smiatek, J., Qiao, B., Sega, M., & Holm, C. (2016). Atomistic simulation of oligoelectrolyte multilayers growth. In High Performance Computing in Science and Engineering ’15: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015 (pp. 215–228). Springer International Publishing. https://doi.org/10.1007/978-3-319-24633-8_14
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