Regensburg 2013 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 20: Poster: Colloids and Complex Liquids
CPP 20.23: Poster
Dienstag, 12. März 2013, 18:15–20:15, Poster C
Interactions of colloids and DNA with confining charged nano-channels: Analysis of numerical solutions of the Poisson-Boltzmann equation and molecular dynamics simulations. — •Dmitry Rozhkov1, Alexander Schlaich2, Sofia Kantorovich1,3, and Marcello Sega4 — 1Ural Federal University, Lenin av. 51, 620000, Ekaterinburg, Russia — 2Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin — 3Sapienza, University of Rome, Piazza A. Moro 5, 00185, Rome, Italy — 4Tor Vergata University of Rome, via della Ricerca scientifica 1, I-00133 Rome, Italy
Nanoscopic confinement of ionic solutions is often met in both biological systems and technical applications but the computation of electrostatic interactions in electrolyte solutions is still challenging. The Poisson-Boltzmann equation can be used for the simple case of monovalent ions. The numerical solution usually implies that the boundary conditions are known a priori, but in strongly confined systems such as charged nano-channels or for strongly overlapping Debye-layers the usual assumptions of constant potential or constant flux boundary conditions break down. Molecular dynamics simulations proved to be an efficient tool to analyse systems with dielectric mismatch. However, realistic salt concentrations and confinements are rarely feasible in simulations. We use both a numerical Poisson-Boltzmann scheme and molecular dynamics simulations for calculating the effects of colloidal particles and DNA in confinement in order to elucidate the effect observed by Krishnan et al [Nano Lett., 7, 1270 (2007)].