EventsMOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed.
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Published
This submission belongs to the session 01. CHEMBIO.INFO-09: Cheminfo., Chemom., Comput. Quantum Chem. & Bioinfo. Congress München, GR-Chapel Hill, USA, 2023. of the event MOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed.
Published date
14 Jun, 2023
Academic Editor
author-avatarMOL2NET team
Citation
Nataliia Atamas, Dynamic inhomogeneity in highly diluted solutions of ionic liquids with isomers of monohydric alcohols, in Proceedings of MOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed., 25 December–31 December 2023, MDPI: Basel, Switzerland
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Dynamic inhomogeneity in highly diluted solutions of ionic liquids with isomers of monohydric alcohols

Nataliia Atamas 1
1. BOKU University, Ukraine
Abstract

During the study, the influence of the isomerism of monohydric alcohols on their time dynamics in an ionic liquid was studied. Based on the data obtained as a result of molecular dynamics calculations, the time intervals were determined during which the nature of the motion of a dissolved substance (iso-alcohol molecules) in an ionic liquid changes, model representations were constructed to describe the mechanisms of diffusion of the components of the systems under study, which made it possible to analyze the effect of isomerism of monatomic alcohols on the dynamic properties of alcohols in an ionic liquid.

Keywords
ionic liquid
dynamics
alcohols
Manuscript
Atamas-2023.pdf
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