Meta-analysis of viscosity of aqueous deep eutectic solvents and their components
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A meta-analysis of the impact of water content and temperature on the viscosities of four deep eutectic solvents (glyceline, reline, DEAG, DEACG), their components (choline chloride, urea, glycerol, ethylene glycol), methanol, and pure water was performed. We analyzed the viscosity data by an automated workflow, using Arrhenius and Vogel–Fulcher–Tammann-Hesse models.
SEEK ID: https://fairdomhub.org/studies/767
Projects: CML for thermophysical properties of mixtures
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Created: 10th Jul 2020 at 15:16
Last updated: 24th Jul 2020 at 15:53
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https://orcid.org/0000-0001-9119-1778Polyglot European Scientist. I thrive working in interdisciplinary environments combining the study of enzyme reactions and mechanisms with bioinformatics, molecular modelling, automated data analysis and data stewardship.
Storage of thermophysical properties (e.g. density, viscosity, thermodynamic activity of water, conductivity) using Chemical Markup Language (CML).
Programme: This Project is not associated with a Programme
Public web page: Not specified
This is a collection of deep eutectic solvent (DES) experimental and simulation data that is stored in CML format and analysed using gradient boosting decision trees.
Submitter: Gudrun Gygli
Biological problem addressed: Model Analysis Type
Investigation: Deep Eutectic Solvents
Python script wrapping up (executing) all the steps of the workflow the user enters in it. Together with "names.py" this script requires input files to be located in a folder called "input" in the same directory.
Creators: Gudrun Gygli, Juergen Pleiss, Xinmeng Xu
Submitter: Gudrun Gygli
Input data (viscosities, in .csv format) for the modelling workflow, collected from literature, see associated publication for details.
Creators: Gudrun Gygli, Xinmeng Xu, Juergen Pleiss
Submitter: Gudrun Gygli
Resulting data from the modelling workflow, see associated publication.
Creators: Gudrun Gygli, Xinmeng Xu, Juergen Pleiss
Submitter: Gudrun Gygli
The modelling workflow used on the input data, which leads to the results, see associated publication.
Creators: Gudrun Gygli, Juergen Pleiss, Xinmeng Xu
Submitter: Gudrun Gygli
Python script allowing the user to define the names of the input files to be used. Together with "wrapper.py" this script requires input files to be located in a folder called "input" in the same directory.
Creators: Gudrun Gygli, Juergen Pleiss, Xinmeng Xu
Submitter: Gudrun Gygli
Instructions and details on the data analysis workflow.
Creators: Gudrun Gygli, Juergen Pleiss, Xinmeng Xu
Submitter: Gudrun Gygli
