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.
Keywords
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
This is a preview of subscription content, log in via an institution.
Buying options
Tax calculation will be finalised at checkout
Purchases are for personal use only
Learn about institutional subscriptionsPreview
Unable to display preview. Download preview PDF.
References
Israelachvili, J.: Intermolecular and Surface Forces. Academic Press, London (1991)
Hunter, R.J.: Foundations of Colloid Science, Vol. 1. Clarendon Press, Oxford (1991)
Viovy, J.-L.: Electrophoresis of DNA and other polyelectrolytes: Physical mechanisms. Rev. Mod. Phys., 72, 813–872 (2000)
Mathe, J., Di Meglio, J.-M., Tinland, B.: Electrophoretic separation of large DNAs using steric confinement. J. Colloid Interface Sci., 316, 831–835 (2007)
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)
Hoogerbrugge, P.J., Koelman, J.M.V.A.: Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics. Europhys. Lett., 19, 155–160, (1992)
Groot, R.D., Warren, P.B.: Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation. J. Chem. Phys., 107, 4423–4435 (1997)
Español, P., Warren, P.B.: Statistical mechanics of dissipative particle dynamics. Europhys. Lett., 30, 191–195 (1995)
Frenkel, D., Smit, B.: Understanding Molecular Simulation, 2nd Edition. Academic Press, San Diego CA (2008)
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)
Smiatek, J., Schmid, F.: Polyelectrolyte electrophoresis in nanochannels: A dissipative particle dynamics simulation. J. Phys. Chem. B., 114, 6266–6272 (2010)
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)
Moreira, A.G., Netz, R.R.: Binding of similarly charged plates with counterions only. Phys. Rev. Lett., 87, 078301–078305 (2001)
Hockney, R.W., Eastwood, J.W.: Computer Simulation using Particles. McGraw-Hill, New York (1981)
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)
Doi, M., Edwards S.F.: The Theory of Polymer Dynamics. Oxford Press, Oxford (1986)
Dünweg, B., Kremer, K.: Molecular dynamics simulation of a polymer chain in solution. J. Chem. Phys., 99, 6983–6998 (1993)
Smiatek, J.: Mesoscopic simulations of electrohydrodynamic phenomena. PhD thesis, Bielefeld University (2009)
Smiatek, J., Scherer, C., Schmid, F., manuscript in preparation
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2011 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
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
Download citation
DOI: https://doi.org/10.1007/978-3-642-15748-6_5
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-15747-9
Online ISBN: 978-3-642-15748-6
eBook Packages: Mathematics and StatisticsMathematics and Statistics (R0)