Fig. 6: Chemical space visualization of 124,010 solutes between products and impurities. | Nature Energy

Fig. 6: Chemical space visualization of 124,010 solutes between products and impurities.

From: A hybrid modelling approach to compare chemical separation technologies in terms of energy consumption and carbon dioxide emissions

Fig. 6

a, Visualization of the chemical space for application datasets with rejections and their change (ΔR′) for a DuraMem 300 polyimide membrane in acetonitrile. The dashed boxes represent high- and low-rejection areas, where the average rejection is lower (red) or higher (blue) than the overall rejection. The percentage values represent the relative change compared to the overall rejection. The substructures with the greatest deviation from the average rejection within the dashed boxes are shown above. The latent variables were determined by the PCA–t-SNE method (Supplementary Methods). b, Visualization of the chemical space for products and impurities with four example solutes highlighted. The membrane was non-crosslinked polybenzimidazole in acetonitrile.

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