Table 2. Training Range of the Individual Input Parameters for Predicting the Freundlich Parameters log KF and n of Cations and Zwitterionsa.
C [%] | H/C | O/C | SSA [m2/g] | pH | log DOW | A– [%] | B+ [%] | E [cm3 mol–1/100] | S | A | B | V [cm3 mol–1/100] | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
min | 20 | 0.001 | 0.0002 | 1 | 3.0 | –8.55 | 0 | 0.001 | 0.63 | 0.84 | 0.00 | 0.25 | 0.68 |
max | 99 | 1.808 | 0.8882 | 2000 | 10.0 | 9.50 | 100 | 100 | 3.50 | 4.07 | 1.65 | 6.52 | 7.04 |
Abbreviations: carbon content (C, %), molar ratios H/C and O/C, SSA (m2/g), abundance of negatively charged species (A–, %), abundance of positively charged species (B+, %), E (excess molar refraction), S (dipolarity/polarizability), A (H-bond acidity), B (H-bond basicity), and V (molar volume).