Flow-induced translocation of polymers through a fluidic channel: A dissipative particle dynamics simulation study

JY Guo and XJ Li and Y Liu and HJ Liang, JOURNAL OF CHEMICAL PHYSICS, 134 (2011).

DOI: 10.1063/1.3578180

The dynamics of flow-induced translocation of polymers through a fluidic channel has been studied by dissipative particle dynamics (DPD) approach. Unlike implicit solvent models, the many-body energetic and hydrodynamic interactions are preserved naturally by incorporating explicit solvent particles in this approach. The no-slip wall boundary and the adaptive boundary conditions have been implemented in the modified DPD approach to model the hydrodynamic flow within a specific wall structure of fluidic channel and control the particles' density fluctuations. The results show that the average translocation time versus polymer chain length satisfies a power-law scaling of tau similar to N-1.152. The conformational changes and translocation dynamics of polymers through the fluidic channel have also been investigated in our simulations, and two different translocation processes, i.e., the single-file and double-folded translocation events, have been observed in detail. These findings may be helpful in understanding the conformational and dynamic behaviors of such polymer and/or DNA molecules during the translocation processes. (C) 2011 American Institute of Physics. doi: 10.1063/1.3578180

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