@inproceedings{3c49c47486be430b950186be87bbd905,
title = "Simulation of electrokinetic transport in silica nanochannels",
abstract = "Using a hierarchical multiscale methodology to compute ion transport in nanoscale silica channels, we show that the partial charges from quantum calculations significantly alter transport properties and I-V characteristics of electrolytes in confined geometries. Molecular dynamics simulations performed with the partial charges computed from quantum calculations show a good agreement with recent experimental results for an α- quartz-water interface. Though net surface charge density is zero, electroosmotic flow is observed because of oscillations in ionic density that creates a local net charge density.",
keywords = "Electro-osmosis, Molecular dynamics, Multiscale, Quantum charges",
author = "Sony Joseph and Chatterjee, {Aveek N.} and Aluru, {N. R.}",
year = "2005",
language = "English (US)",
isbn = "0974361119",
series = "Micro Total Analysis Systems - Proceedings of MicroTAS 2005 Conference: 9th International Conference on Miniaturized Systems for Chemistry and Life Sciences",
publisher = "Transducer Research Foundation",
pages = "733--735",
booktitle = "Micro Total Analysis Systems - Proceedings of MicroTAS 2005 Conference",
note = "9th International Conference on Miniaturized Systems for Chemistry and Life Sciences, MicroTAS 2005 ; Conference date: 09-10-2005 Through 13-10-2005",
}