Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore

@inproceedings{Thompson2003NonequilibriumMD,
  title={Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore},
  author={Aidan P Thompson},
  year={2003}
}
  • Aidan P Thompson
  • Published 2003
  • Chemistry
  • Nonequilibrium molecular dynamics simulations were performed for Poiseuille and electro-osmotic flow in a charged cylindrical nanopore. The goal was to examine any deviations from continuum flow behavior and to compare and contrast the Poiseuille and electro-osmotic flow situations. The fluid was composed of cationic counterions and nonpolar monatomic solvent molecules. The cylindrical surface of the pore wall was represented by a stochastic scattering boundary condition. The lack of any… CONTINUE READING

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