Ontology highlight
ABSTRACT:
SUBMITTER: Smook LA
PROVIDER: S-EPMC7759003 | biostudies-literature | 2020 Dec
REPOSITORIES: biostudies-literature
Smook Leon A LA Ritsema van Eck Guido C GC de Beer Sissi S
Macromolecules 20201204 24
Polymer brushes can absorb vapors from the surrounding atmosphere, which is relevant for many applications such as in sensing and separation technologies. In this article, we report on the absorption of binary mixtures of solvent vapors (A and B) with a thermodynamic mean-field model and with grand-canonical molecular dynamics simulations. Both methods show that the vapor with the strongest vapor-polymer interaction is favored and absorbs preferentially. In addition, the absorption of one vapor ...[more]