Cross-stream migration of flexible molecules in a nanochannel

Rajesh Khare, Michael D. Graham, Juan J. De Pablo

Research output: Contribution to journalArticle

66 Scopus citations

Abstract

Molecular dynamics simulations are used to examine the cross-stream chain migration phenomenon in dilute polymer solutions that are flowing in nanochannels. In particular, both uniform planar shear (Couette) and pressure driven (Poiseuille) flows of a dilute polymer solution are studied using a bead-spring representation of polymer chains and a coarse grained model for the solvent. Our results show that three mechanisms govern the migration of deformable molecules in a nanochannel: (1) chain-wall hydrodynamic interactions, (2) thermal diffusion, and (3) gradient in chain mobility. These results are discussed in the context of recent experimental, numerical and theoretical work.

Original languageEnglish
Article number224505
JournalPhysical Review Letters
Volume96
Issue number22
DOIs
StatePublished - 2006

Fingerprint Dive into the research topics of 'Cross-stream migration of flexible molecules in a nanochannel'. Together they form a unique fingerprint.

  • Cite this