Aqueous solutions of chiral ionic liquids based on (-)-menthol: An experimental and computational study of volumetric and transport properties

0571688 - ÚCHP 2024 RIV NL eng J - Článek v odborném periodiku
Bendová, Magdalena - Heyda, J. - Wagner, Zdeněk - Feder-Kubis, J. - Polák, J. - Tankam, T. - Sýkorová, Adéla
Aqueous solutions of chiral ionic liquids based on (-)-menthol: An experimental and computational study of volumetric and transport properties.
Journal of Molecular Liquids. Roč. 378, MAY 15 (2023), č. článku 121591. ISSN 0167-7322. E-ISSN 1873-3166
Grant ostatní: NSC(PL) UMO-2020/37/B/NZ9/04201
Institucionální podpora: RVO:67985858
Klíčová slova: ionic liquids * conductivity * infinite dilution * dissociation
Obor OECD: Physical chemistry
Impakt faktor: 6, rok: 2022
Způsob publikování: Open access s časovým embargem

Aqueous solutions of ionic liquids remain at the focus of the physico-chemical and chemical-engineering research due to their interesting behaviour in the bulk and on the molecular level as well as thanks to their possible application potential. Indeed, the molecular structure of the aqueous solutions of ionic liq-uids is still poorly understood. In this work, imidazolium-based chiral ionic liquids with a (-)-menthol substituent on the cation 1-alkyl-3-[(1R,2S,5R)-(-)-menthoxymethyl]imidazolium chlorides were studied in aqueous solutions. Their volumetric properties and electrical conductivity were measured to better understand their hydration and dissociation. The bulk experimental data were interpreted in the light of MD simulations that enabled us to obtain spatial and radial distribution functions and to estimate the volumetric and transport properties of the studied systems. Experimental data of density and conduc-tivity were analyzed by methods of mathematical gnostics which is naturally robust, is valid for small data set (no coverage factor needed), and does not require prior knowledge of the distribution of the mea-surement errors. It is therefore applicable in cases where tests of data normality are statistically insignif-icant or even fail.(c) 2023 Elsevier B.V. All rights reserved.
Trvalý link: https://hdl.handle.net/11104/0342734