A hybrid, coupled approach for modeling charged fluids from the nano to the mesoscale
نویسندگان
چکیده
منابع مشابه
A hybrid, coupled approach for modeling charged fluids from the nano to the mesoscale
We develop and demonstrate a new, hybrid simulation approach for charged fluids, which combines the accuracy of the nonlocal, classical density functional theory (cDFT) with the efficiency of the PoissonNernst-Planck (PNP) equations. The approach is motivated by the fact that the more accurate description of the physics in the cDFT model is required only near the charged surfaces, while away fr...
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ژورنال
عنوان ژورنال: Journal of Computational Physics
سال: 2017
ISSN: 0021-9991
DOI: 10.1016/j.jcp.2017.07.030