Hansen solubility parameters, including dispersive interactions (δD), polar interactions (δP) and hydrogen bonds (δH), for lignin, vanillin, pure solvents, and solvent mixtures at the experimental condition in the design space. Values for lignin, vanillin and pure solvents were obtained from the literature.49 Values for other LMs were calculated by using the HSPiS software. RED = relative energy difference in relation to HSPs of lignin.
| Compound(s) | δ D (MPa1/2) | δ P (MPa1/2) | δ H (MPa1/2) | RED | Condition |
|---|---|---|---|---|---|
| Lignin | 21.9 | 14.1 | 16.9 | Ambient | |
| Vanillin | 19.4 | 9.8 | 11.2 | 0.6 | Ambient |
| Syringaldehyde | 19.4 | 10.5 | 12.2 | 0.6 | Ambient |
| Vanillic acid | 19.8 | 8.8 | 15.4 | 0.5 | Ambient |
| Ferulic acid | 19.3 | 8.4 | 15.8 | 0.6 | Ambient |
| Coniferyl aldehyde | 19.3 | 9.3 | 11.5 | 0.6 | Ambient |
| Syringic acid | 19.5 | 8.6 | 14.9 | 0.6 | Ambient |
| Sinapaldehyde | 19.1 | 8.9 | 11.4 | 0.7 | Ambient |
| Ethanol | 15.8 | 8.8 | 19.4 | 1.0 | Ambient |
| Ethyl lactate | 16.0 | 7.6 | 12.5 | 1.0 | Ambient |
| Acetone | 15.5 | 10.4 | 7.0 | 1.2 | Ambient |
| Water | 15.5 | 16.0 | 42.3 | 2.1 | Ambient |
| CO2 | 13.2 | 4.9 | 5.4 | 1.7 | 25 °C, 350 bar |
| CO2/acetone/H2O (50/45/5, v/v/v) | 12.9 | 7.4 | 7.4 | 1.6 | 60 °C, 350 bar |
| CO2/acetone (10/90, v/v) | 14.8 | 9.6 | 6.7 | 1.3 | 40 °C, 350 bar |
| CO2/acetone (10/90, v/v) | 13.6 | 8.9 | 6.1 | 1.5 | 80 °C, 350 bar |
| CO2/acetone (90/10, v/v) | 12.7 | 5.3 | 5.3 | 1.7 | 40 °C, 350 bar |
| CO2/acetone (90/10, v/v) | 10.4 | 4.9 | 4.7 | 2.0 | 80 °C, 350 bar |
| CO2/acetone/H2O (10/72/18, v/v/v) | 14.9 | 10.6 | 12.9 | 1.1 | 40 °C, 350 bar |
| CO2/acetone/H2O (10/72/18, v/v/v) | 13.7 | 9.9 | 12.2 | 1.3 | 80 °C, 350 bar |
| CO2/acetone/H2O (90/8/2, v/v/v) | 12.7 | 5.4 | 6.0 | 1.7 | 40 °C, 350 bar |
| CO2/acetone/H2O (90/8/2, v/v/v) | 10.4 | 5.0 | 5.4 | 2.0 | 80 °C, 350 bar |