Cross-stream migration of flexible molecules in a nanochannel.
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.
Khare
Rajesh
R
Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706-1691, USA.
Graham
Michael D
MD
de Pablo
Juan J
JJ
D010582:Bacteriophage lambda / Q000235:genetics; D004279:DNA, Viral / Q000737:chemistry; D008956:Models, Chemical; D049329:Nanostructures / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry*
D004279:DNA, Viral; D011108:Polymers