Model | Standarda | Costa et al.b | Calculated model M1 | Calculated model M2 | ||||||
---|---|---|---|---|---|---|---|---|---|---|
Species | pKa | mmol.g−1 | % | pKa | mmol.g−1 | % | pKa | mmol.g−1 | % | |
Carboxylic | 4.56 | 6.35 | 1.042 | 25 | 6.28 | 1.013 | 23 | 4.35 | 0.549 | 12 |
Phthalic | 2.75 | 2.76 | 1.163 | 27 | 2.75 | 1.134 | 26 | 2.81 | 0.923 | 21 |
4.93 | 4.71 | 4.73 | 4.89 | |||||||
Phenolic | 9.82 | 9.66 | 0.666 | 16 | 9.73 | 0.938 | 22 | 9.87 | 0.688 | 16 |
Catechol | 9.23 | 7.97 | 0.540 | 13 | 7.92 | 0.549 | 13 | 8.87 | 0.492 | 11 |
13.0 | 13.30 | 13.36 | 11.83 | |||||||
Salicylic | 2.81 | 3.29 | 0.810 | 19 | 3.08 | 0.715 | 16 | 2.79 | 0.600 | 13 |
13.4 | 13.40 | 13.39 | 13.39 | |||||||
Supramolecular | 6.65 | 1.147 | 26 | |||||||
Total | 4.221 | 4.351 | 4.400 |