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Three of the ternary subsystems are studied in this sense for the first time. The predictive capability of the employed force fields, which were sampled with the Green\u2013Kubo formalism and Kirkwood\u2013Buff integration, is confirmed by comparison with experimental literature data on vapor-liquid equilibrium, shear viscosity and Fick diffusion coefficient, wherever possible. A thorough analysis of the finite size effects on the simulative calculation of diffusion coefficients of multicomponent systems is carried out. Moreover, the dependence of the Fick diffusion coefficient matrix on the velocity reference frame and component order is analyzed. Their influence is found to be less significant for the main matrix elements, reaching a maximum variation of 19%. The large differences found for the cross elements upon variation of the reference frame hinder a straightforward interpretation of the Fick diffusion coefficient matrix with respect to the presence of diffusive coupling effects.<\/jats:p>","DOI":"10.1038\/s41598-021-91727-w","type":"journal-article","created":{"date-parts":[[2021,6,10]],"date-time":"2021-06-10T10:02:58Z","timestamp":1623319378000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["Diffusion in multicomponent aqueous alcoholic mixtures"],"prefix":"10.1038","volume":"11","author":[{"given":"Gabriela","family":"Guevara-Carrion","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Robin","family":"Fingerhut","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jadran","family":"Vrabec","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2021,6,10]]},"reference":[{"key":"91727_CR1","doi-asserted-by":"publisher","first-page":"986","DOI":"10.1016\/j.molliq.2018.12.024","volume":"276","author":"S Thawarkar","year":"2019","unstructured":"Thawarkar, S., Khupse, N. 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