Modelling of Ionian Liquids and Water Mixtures and Species of NMR Species

Operation co-funded by EU cohesion policy (European Social Fund (ESF)) under the programme EU Structural Funds Investments - LT - ERDF/ESF/CF/YEI (2014LT16MAOP001), managing authority: Finansų ministerija. The source names no beneficiary for this operation. Location: Vilnius County (NUTS LT011); Lithuania. Budget: total eligible expenditure EUR 2,655.26; EU co-financing EUR 2,655.26 (co-financing rate 100%), as stated by the source. Runs 2021-09-01 to 2022-03-31. Source: Kohesio, EU cohesion policy projects managed by national and regional authorities (not CORDIS); selected because its summary names quantum technology. Summary from Kohesio (English machine translation by the source): Ion liquids (JS),- substances consisting of organic molecular cations and organic or inorganic anions,- are already used in chemical engineering and nanotechnology, and their potential for medical and cosmetology has recently been highly studied. It should be noted that mixtures of JS and conventional solvents are most often used, as the latter improve the properties of JS. In order to optimise the synthesis of JS selectively and to understand how the organic solvent modulates the properties of JS, it is necessary to know in detail the intermolecular interactions that affect both the ions of the JS and between the ions and the solvent molecules. The aim of this project is to simulate the most important features of the intermolecular structure of 1-butyl-3-methyl-imidazole tetrafluoroborate JS and its water mixtures, as well as the changes in the magnetic resonance chemical displacement of water molecules, as the composition of the mixture changes. To achieve this goal, classical MD simulations and nuclear magnetic resonance parameters of the above-mentioned JS and water mixtures will be performed using sensory quantum mechanics and molecular mechanics models. We rightly hope that our modelling work will provide important information on the intermolecular structure of 1-butyl-3-methyl-imidazole tetrafluoroborate JS and its water mixtures.

Original source.

Source: Kohesio (EU cohesion policy projects), European Commission, Directorate-General for Regional and Urban Policy (DG REGIO). Retrieved 2026-10-21. Licence: CC0 1.0 (Cohesion Open Data Platform, dataset 2014-2020 Kohesio projects). Selected metadata, adapted presentation; the publisher's record is authoritative. No endorsement by the source is implied. Licence: public domain dedication (CC0 1.0).

AI-assisted summary: The operation, co-funded by the EU, focuses on the modelling of ion liquids and their mixtures with water, running from September 2021 to March 2022 in Vilnius County, Lithuania. The total budget is EUR 2,655.26, fully co-financed by the EU. Suggested technology pillar: simulation. Generated by AI from the public source text; it may contain errors and the original source is authoritative.