Influence of hydrodynamic interactions on stratification in drying mixtures

Antonia Statt, Michael P. Howard, Athanassios Z. Panagiotopoulos

Research output: Contribution to journalArticlepeer-review

17 Scopus citations

Abstract

Nonequilibrium molecular dynamics simulations are used to investigate the influence of hydrodynamic interactions on vertical segregation (stratification) in drying mixtures of long and short polymer chains. In agreement with previous computer simulations and theoretical modeling, the short polymers stratify above the long polymers at the top of the drying film when hydrodynamic interactions between polymers are neglected. However, no stratification occurs under the same drying conditions when hydrodynamic interactions are incorporated through an explicit solvent model. Our analysis demonstrates that models lacking hydrodynamic interactions do not faithfully represent stratification in drying mixtures, in agreement with the recent analysis of an idealized model for diffusiophoresis. Hydrodynamic interactions must be incorporated into such models for drying mixtures in future.

Original languageEnglish (US)
Article number024902
JournalJournal of Chemical Physics
Volume149
Issue number2
DOIs
StatePublished - Jul 14 2018

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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