A study of electrochemical transport and diffuse charge dynamics using a Langevin equation

Chikmagalur, Karthik

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https://hdl.handle.net/2142/26168 Copy

Description

Title

A study of electrochemical transport and diffuse charge dynamics using a Langevin equation

Author(s)

Chikmagalur, Karthik

Issue Date

2011-08-25T22:17:09Z

Director of Research (if dissertation) or Advisor (if thesis)

Saintillan, David

Department of Study

Mechanical Sci & Engineering

Discipline

Theoretical & Applied Mechans

Degree Granting Institution

University of Illinois at Urbana-Champaign

Degree Name

M.S.

Degree Level

Thesis

Keyword(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.

Graduation Semester

2011-08

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http://hdl.handle.net/2142/26168

Copyright and License Information

Copyright 2011 Karthik Chikmagalur

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