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Mesoscopic Simulations of Polyelectrolyte Electrophoresis in Nanochannels

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High Performance Computing in Science and Engineering '10
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Abstract

We present the results of mesoscopic dissipative particle dynamics (DPD) simulations of coupled electrohydrodynamic phenomena on the micro- and nanoscale. The effects of electroosmotic flow and slippage combined with polyelectrolyte electrophoresis are investigated in detail, taking full account of hydrodynamic and electrostatic interactions. Our numerical results are in excellent agreement with analytical calculations.

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References

  1. Israelachvili, J.: Intermolecular and Surface Forces. Academic Press, London (1991)

    Google Scholar 

  2. Hunter, R.J.: Foundations of Colloid Science, Vol. 1. Clarendon Press, Oxford (1991)

    Google Scholar 

  3. Viovy, J.-L.: Electrophoresis of DNA and other polyelectrolytes: Physical mechanisms. Rev. Mod. Phys., 72, 813–872 (2000)

    Article  Google Scholar 

  4. Mathe, J., Di Meglio, J.-M., Tinland, B.: Electrophoretic separation of large DNAs using steric confinement. J. Colloid Interface Sci., 316, 831–835 (2007)

    Article  Google Scholar 

  5. Smiatek, J., Sega, M., Holm, C., Schiller, U.D., Schmid, F.: Mesoscopic simulations of the counterion-induced electroosmotic flow: A comparative study. J. Chem. Phys., 24, 244702–244710 (2009)

    Article  Google Scholar 

  6. Hoogerbrugge, P.J., Koelman, J.M.V.A.: Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics. Europhys. Lett., 19, 155–160, (1992)

    Article  Google Scholar 

  7. Groot, R.D., Warren, P.B.: Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation. J. Chem. Phys., 107, 4423–4435 (1997)

    Article  Google Scholar 

  8. Español, P., Warren, P.B.: Statistical mechanics of dissipative particle dynamics. Europhys. Lett., 30, 191–195 (1995)

    Article  Google Scholar 

  9. Frenkel, D., Smit, B.: Understanding Molecular Simulation, 2nd Edition. Academic Press, San Diego CA (2008)

    Google Scholar 

  10. Arnold, A., Mann, B.A., Limbach, H.-J., Holm, C.: ESPResSo: An extensible simulation package for research on soft matter systems. Comp. Phys. Comm., 174, 704–727 (2005)

    Google Scholar 

  11. Smiatek, J., Schmid, F.: Polyelectrolyte electrophoresis in nanochannels: A dissipative particle dynamics simulation. J. Phys. Chem. B., 114, 6266–6272 (2010)

    Article  Google Scholar 

  12. Boroudjerdi, H., Kim, Y.-W., Naji, A., Netz, R.R., Schlagberger X., Serr A.: Statics and dynamics of strongly charged soft matter. Phys. Rep., 416, 129–199 (2005)

    Article  Google Scholar 

  13. Moreira, A.G., Netz, R.R.: Binding of similarly charged plates with counterions only. Phys. Rev. Lett., 87, 078301–078305 (2001)

    Article  Google Scholar 

  14. Hockney, R.W., Eastwood, J.W.: Computer Simulation using Particles. McGraw-Hill, New York (1981)

    Google Scholar 

  15. Smiatek, J., Allen, M.P., Schmid, F.: Tunable-slip boundaries for coarse-grained simulations of fluid flow. Eur. Phys. J. E, 26, 115–123 (2008)

    Article  Google Scholar 

  16. Doi, M., Edwards S.F.: The Theory of Polymer Dynamics. Oxford Press, Oxford (1986)

    Google Scholar 

  17. Dünweg, B., Kremer, K.: Molecular dynamics simulation of a polymer chain in solution. J. Chem. Phys., 99, 6983–6998 (1993)

    Article  Google Scholar 

  18. Smiatek, J.: Mesoscopic simulations of electrohydrodynamic phenomena. PhD thesis, Bielefeld University (2009)

    Google Scholar 

  19. Smiatek, J., Scherer, C., Schmid, F., manuscript in preparation

    Google Scholar 

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Correspondence to Jens Smiatek .

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Smiatek, J., Schmid, F. (2011). Mesoscopic Simulations of Polyelectrolyte Electrophoresis in Nanochannels. In: Nagel, W., Kröner, D., Resch, M. (eds) High Performance Computing in Science and Engineering '10. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-15748-6_5

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