The Journal of Chemical Physics · 2007 · 84 citations · 35 references
Natural SciencesBiophysicsChemistryMembrane BiophysicsMolecular BiophysicsPolymer ChemistryMembrane TransportMolecular DynamicsPolymer BiophysicsPolymer PhysicsPolymer ThermodynamicsTransport Across Biological MembranesImpermeable MembranesLangevin DynamicsLennard-jones PotentialMembrane Transport KineticsNanopore TransportPolymer Chain DynamicsPolymer-solvent InteractionsSolvent Quality Effects
The authors have performed the Langevin dynamics simulation to investigate the unforced polymer translocation through a narrow nanopore in an impermeable membrane. The effects of solvent quality controlled by the attraction strength lambda of the Lennard-Jones cosine potential between polymer beads and beads on two sides of the membrane on the translocation processes are extensively examined. For polymer translocation under the same solvent quality on both sides of the membrane, the two-dimensional and three-dimensional simulations confirm the scaling law of tautrans approximately N1+2upsilon for the translocation in the good solvent, where tautrans is the translocation time, N is the chain length, and upsilon is the Flory exponent. For the three-dimensional polymer translocation under different solvent qualities on two sides of the membrane, the translocation efficiency may be notably improved. The scaling law between tautrans and N varies from tautrans approximately N1+2upsilon to tautrans approximately N with the increase of the difference of solvent qualities, and the crossover occurs at the theta temperature point, where a scaling law of tautrans approximately N1.27 is found. The simulation results here also show that the translocation time changes from a wide and asymmetric distribution with a long tail to a narrow and symmetric distribution with the increase of the difference of the solvent qualities.
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