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Aluru, Narayana R. Joseph, Sony 2015-09-25T21:12:42Z 2015-09-25T21:12:42Z 10000-01-01 2008 2008 Finally, we demonstrate a hierarchical multiscale framework that consists of quantum calculations, molecular dynamics simulations and continuum theory that can be used to model electrolytic transport in micro-nano interconnect devices. Effects of nanoscale confinement and partial charges, that stem from quantum calculations, are investigated in silica slit channels filled with 1 M KCl at the point of zero charge. Oscillations in concentration profiles of K+ and Cl- ions give rise to an electroosmotic flow in the presence of an external electric field indicating the presence of an electric double layer at net zero surface charge, contrary to the expectations from classical continuum theory. I-V curves in a channel-bath system using ionic mobilities from molecular dynamics simulations were significantly different with and without considering the effect of quantum charges for channels widths less than 4 nm. Made available in DSpace on 2015-09-25T21:12:42Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 3337814.pdf: 2358000 bytes, checksum: 669e29768608ee813450b836e202461e (MD5) Previous issue date: 2008 Embargo set by: Seth Robbins for item 85197 Lift date: Forever Reason: Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs U of I Only 141 p. Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2008. http://hdl.handle.net/2142/83916 (MiAaPQ)AAI3337814 eng Physics, Fluid and Plasma Towards Ion Channel Based Nanofluidic Devices: Simulations of Water and Electrolyte Transport in Nanotubes and Channels text Mechanical Engineering Mechanical Engineering University of Illinois at Urbana-Champaign Dissertation Ph.D.