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International Journal for Multiscale Computational Engineering, 2(2)173188(2004) Multiscale Simulation of
 

Summary: International Journal for Multiscale Computational Engineering, 2(2)173188(2004)
Multiscale Simulation of
Electroosmotic Transport Using
Embedding Techniques
R. Qiao* & N. R. Aluru**
Department of Mechanical and Industrial Engineering,
Beckman Institute for Advanced Science and Technology,
University of Illinois at Urbana-Champaign,
405 N.Matthews, Urbana, IL 61801,
ABSTRACT
An embedding multiscale simulation approach and its application to the electroos-
motic transport in micro- and nanochannels is presented. The central idea in our
multiscale simulation approach is that to analyze a coarse-scale problem, in which
atomistic details are important in certain critical regions, one first performs atom-
istic simulation of a fine-scale system to obtain quantitative information of the
system behavior in those critical regions, and then incorporates the quantitative
information into continuum simulation of the coarse-scale system. To study the
electroosmotic transport, two methods, namely, the modified Poisson-Boltzmann
equation and velocity-embedding technique, are developed based on the embed-
ding multiscale simulation approach. Comparison of the ion distribution and

  

Source: Aluru, Narayana R. - Department of Mechanical and Industrial Engineering, University of Illinois at Urbana-Champaign

 

Collections: Engineering; Materials Science