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Royal Society of Chemistry, Green Chemistry, 14(20), p. 3359-3370

DOI: 10.1039/c8gc01582a

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AquaBoxIL – a computational tool for determining the environmental distribution profile of ionic liquids

Journal article published in 2018 by Maciej Barycki, Anita Sosnowska ORCID, Tomasz Puzyn ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

We present the AquaBoxIL tool for comparing the ionic liquids (ILs) in terms of their theoretical Environmental Distribution Profile (EDP). The EDP is defined as the most possible scenario of IL's distribution among water, sediment and organic matter (representing biota) in case of their deposition in the environment.