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Stratification in Drying Polymer-Polymer and Colloid-Polymer Mixtures.

Michael P HowardArash NikoubashmanAthanassios Z Panagiotopoulos
Published in: Langmuir : the ACS journal of surfaces and colloids (2017)
Drying polymer-polymer and colloid-polymer mixtures were studied using Langevin dynamics computer simulations. Polymer-polymer mixtures vertically stratified into layers, with the shorter polymers enriched near the drying interface and the longer polymers pushed down toward the substrate. Colloid-polymer mixtures stratified into a polymer-on-top structure when the polymer radius of gyration was comparable to or smaller than the colloid diameter, and a colloid-on-top structure otherwise. We also developed a theoretical model for the drying mixtures based on dynamical density functional theory, which gave excellent quantitative agreement with the simulations for the polymer-polymer mixtures and qualitatively predicted the observed polymer-on-top or colloid-on-top structures for the colloid-polymer mixtures.
Keyphrases
  • ionic liquid
  • density functional theory
  • molecular dynamics
  • machine learning
  • deep learning
  • optical coherence tomography