Cross-stream migration of flexible molecules in a nanochannel

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

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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
Issue number22
StatePublished - 2006


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