@inproceedings{de0644d3857f474c8a56fb7934279e4f,
title = "Hierarchical multiscale computations of ion transport in synthetic nanopores",
abstract = "A hierarchical multiscale approach, which is employed to determine the ion transport in synthetic membrane nanopores, was described. Two level multiscale simulations were performed combining the continuum Poisson Nernst Planck (PNP) theory and Molecular dynamics (MD) simulations to obtain current-voltage characteristics of nanopores in a silicon dioxide membrane. Statistical analysis from MD simulations were used to obtain mobility and diffusion coefficient in SiO 2 nanopores 5nm in length and diameters of 3nm, 2nm, and 1.2nm in KCl and NaCl solutions. The results show that the mobility and diffusion coefficient decreases with decrease in diameter and is significantly different from the bulk especially for diameters less than 2nm.",
author = "Sony Joseph and Chatterjee, {A. N.} and Aluru, {N. R.}",
year = "2004",
doi = "10.1109/iwce.2004.1407360",
language = "English (US)",
isbn = "0780386493",
series = "2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts",
publisher = "Institute of Electrical and Electronics Engineers Inc.",
pages = "127--128",
booktitle = "2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts",
address = "United States",
note = "2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts ; Conference date: 24-10-2004 Through 27-10-2004",
}