Sorption Characteristics for Polymer Brushes in Equilibrium with Solvent Vapors
Datacite citation style:
Veldscholte, Lars; Guido Ritsema van Eck; Sissi de Beer; Jan Willem Nijkamp (2020): Sorption Characteristics for Polymer Brushes in Equilibrium with Solvent Vapors. Version 2. 4TU.ResearchData. dataset. https://doi.org/10.4121/uuid:f31d3b2b-1a75-43fb-a85e-c4c7e730c329Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite
version 2 - 2020-10-13 (latest)version 1 - 2020-09-28
licenceCC BY-SA 4.0
Vapour sorption is investigated using coarse-grained molecular dynamics (MD) simulations of a polymer brush system, alternated with grand-canonical Monte Carlo (GCMC) sweeps to maintain a constant solvent vapour pressure in a region above the brush. The polymer self-affinity and of the polymer-solvent affinity are both varied with the goal of identifying sorption behaviour regimes of the vapour-solvated polymer brush system in the two-dimensional parameter space. Additionally, the solvent pressure is also varied. This dataset contains the output of the MD simulations (density profiles and data files).
- 2020-09-28 first online
- 2020-10-13 published, posted
formatTar.gz archive containing data files in plain text and pdf, svg and Python pickle files.
associated peer-reviewed publicationSorption Characteristics of Polymer Brushes in Equilibrium with Solvent Vapors
organizationsUniversity of Twente, Material Science and Technology of Polymers group