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Samenvatting
Ionic currents through nanopores can be simulated by means of different physical models, such as the continuum PoissonNernstPlanck (PNP) equations, Brownian dynamics (BD) and molecular dynamics (MD). Each of these models is appropriate on a different length scale. Ideally, the access resistance of the pore would be modelled by the PNP equations, and the pore itself by Brownian and/or molecular dynamics. Hence, the question arises how these models can be combined into one simulation. In this paper, we show how this can be done for the PNP and BD models. As the usual steadystate formulation of the PNP equations cannot be applied in this case, we implemented a timedependent version. Even without the combination with BD, we show that this can give insight in physically relevant questions such as ion concentration polarization and its effect on the pore conductance, current convergence and rectification.
Originele taal2  English 

Titel  Unknown 
Status  Published  31 okt 2012 
Evenement  Nanopores Conference 2012  Lanzarote, Spain Duur: 6 feb 2012 → 10 feb 2012 
Other
Other  Nanopores Conference 2012 

Periode  6/02/12 → 10/02/12 
Ander  Presentation on "Modelling solidstate nanopores with a combination of the PoissonNernstPlanck equations and Brownian dynamics" 
Vingerafdruk Duik in de onderzoeksthema's van 'Modelling solidstate nanopores with a combination of the PoissonNernstPlanck equations and Brownian dynamics'. Samen vormen ze een unieke vingerafdruk.
Activiteiten
 1 Talk or presentation at a conference

Nanopores Conference 2012
Liesbeth Van Oeffelen (Speaker)6 feb 2012 → 10 feb 2012Activiteit: Talk or presentation at a conference