Table 1.
Target versus simulated values of lignin structure for pine, poplar and miscanthus
| Feedstock | Pine | Poplar | Miscanthus | |||
|---|---|---|---|---|---|---|
| Metrics | Experiments (this work) | Simulated | Experiments (this work) | Simulated | Experiments (literature [25, 34]) | Simulated |
| H (%) | 0 | 0 | 0 | 0.00 | 4 | 3.2 |
| G (%) | 100 | 100 | 37 | 37.7 | 46 | 48.0 |
| S (%) | 0 | 0 | 63 | 62.3 | 50 | 48.8 |
| 4-O-5 (%) | 0 | 0 | 0 | 0 | 0 | 0 |
| α-O-4 (%) | 0 | 0 | 0 | 0 | 0 | 0 |
| β-O-4 (%) | 66 | 68.7 | 78 | 79.4 | 68 | 73.2 |
| 5-5 (%) | 0.1 | 0 | 0.1 | 4.9 | 0 | 0 |
| β-5 (%) | 18 | 19.2 | 7 | 4.2 | 15 | 14.2 |
| β-β (%) | 16 | 12.1 | 15 | 11.7 | 17 | 12.6 |
| APSa | 5.5 | 4.7 | 6.6 | |||
| BCb | 0 | 0.02 | 0 | 0.0 | ||
| NMW(Da)c | 986 | 928 | 1240 | 1272 | ||
aAverage polymer size (no. monomers)
bBranching coefficient
cNumber of average MW