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Title:A study of electrochemical transport and diffuse charge dynamics using a Langevin equation
Author(s):Chikmagalur, Karthik
Advisor(s):Saintillan, David
Department / Program:Mechanical Sci & Engineering
Discipline:Theoretical & Applied Mechans
Degree Granting Institution:University of Illinois at Urbana-Champaign
Subject(s):double layer charging
debye layer
Langevin equation
poisson-nernst-planck equations
Abstract:This thesis aims to develop new numerical and computational tools to study electrochemical transport and diffuse charge dynamics at small scales. Previous efforts at modeling electrokinetic phenomena at scales where the noncontinuum effects become significant have included continuum models based on the Poisson-Nernst-Planck equations and atomic simulations using molecular dynamics algorithms. Neither of them is easy to use or conducive to electrokinetic transport modeling in strong confinement or over long time scales. This work introduces a new approach based on a Langevin equation for diffuse charge dynamics in nanofluidic devices, which incorporates features from both continuum and atomistic methods. The model is then extended to include steric effects resulting from finite ion size, and applied to the phenomenon of double layer charging in a symmetric binary electrolyte between parallel-plate blocking electrodes, between which a voltage is applied. Finally, the results of this approach are compared to those of the continuum model based on the Poisson-Nernst-Planck equations.
Issue Date:2011-08-25
Rights Information:Copyright 2011 Karthik Chikmagalur
Date Available in IDEALS:2011-08-25
Date Deposited:2011-08

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