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. 2018 Nov 1;8:16448. doi: 10.1038/s41598-018-34169-1

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© The Author(s) 2018

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Bulk density of solvents. The calculated (circles) bulk densities (at z = 0) of water (WAT, filled circles) and EtOH (empty circles) are shown as functions of EtOH concentration. The dots were connected with lines as guides for the eye. The non-ideal mixing behaviour is evident by comparison with the theoretical densities (dashed lines) of water and EtOH in an ideal mixture. Values are here presented as the mean ± standard deviation from five separate 30 ns blocks of data covering the total simulation time of 50 ns (0–30 ns, 5–35 ns, 10–40 ns, 15–45 ns, and 20–50 ns).