This is the source code that generates the web-app Green Solvent Selection Tool created by the Organic Photonics and Electronics Group (OPEG), which can be found online here.
The app helps the user to identify functional and environmentally green solvents. The likelihood to be functional is based on Hansen solubility parameters (HSP), where a shorter distance in Hansen space (Ra) corresponds to a more similar solvent. The greenness or composite score (G) is based on the GlaxoSmithKline (GSK) solvent sustainability guide, where a higher G means a greener alternative.
This app has been created using the Python framework Dash.
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In the upper left panel, either enter your known functional solvent(s) to approximate the Hansen solubility parameters (HSP), or directly enter the HSP of your solute. Click Update.
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The Solvent Ranking Table orders the solvents by their distance (Ra) to the solute in the Hansen space, i.e. by their similarity in solubility capacity. You can alternatively rank the solvents according to their composite sustainability score (G, a higher value represents a more sustainable alternative), boiling point (bp), viscosity (η), or surface tension (𝜎).
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By selecting a solvent from the Hansen space or the Solvent Ranking Table you can get detailed information regarding its chemical structure, physical properties, and sustainability indicators.
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In the left pane, click Refinement options to define the range for G, bp, η, and 𝜎. Click Update.
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Click Quick path for a sequential path to greener functional solvents. Starting from your solute, each iteration finds the next nearest solvent with a G higher than the previous.
Find more details in our publication "A Tool for Identifying Green Solvents for Printed Electronics".