Description
Contains input files and data used to generate the figures of the article: Computational Screening of the Physical Properties of Water-in-Salt Electrolytes Trinidad Mendez-Morales, Zhujie Li and Mathieu Salanne, ChemRxiv, 13012646v2, 2020 https://doi.org/10.26434/chemrxiv.13012646.v2 WiS-inputs.zip contains typical LAMMPS input files for all the systems. The folder transport_coefficients contains the computed viscosities, conductivities and diffusion coefficients for all the systems. The folder radial_distribution_functions contains all the partial radial distribution functions for all the systems. The nomenclature of the atoms of the anion is provided in the file figureS1.pdf and the atoms from the water molecules are labelled Ow and Hw.
Resources
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| Unknown Resource | Unknown | Open resource | |
| Unknown Resource | Unknown | Open resource |