| AOPs |
advanced oxidation processes |
| CH2=N(+)HCH3
|
N-methylidenemethylamine |
| CH3NHCH3
|
methyl diamine |
| DFT |
density functional theory |
|
|
theoretically calculated aqueous phase free energy of activation |
|
|
theoretically calculated aqueous phase free energy of reaction |
| G4 |
Gaussian-4 theory |
| HCHO |
formaldehyde |
| HCOOH |
formic acid |
| HNO2
|
nitrous acid |
| HO•
|
hydroxyl radicals |
| HOMO |
highest occupied molecular orbital |
| NF |
nanofiltration |
| NDEA |
N-nitrosodiethylamine |
| NDMA |
N-nitrosodimethylamine |
| NMEA |
N-nitrosomethylethylamine |
| NO•
|
nitric oxide |
| NO3−
|
nitrate ion |
| NO2−
|
nitrite ion |
| ONOO−
|
peroxynitrite |
|
•O2−
|
superoxide anion radical |
| QM |
quantum mechanical |
| RO |
reverse osmosis |
| SMD |
universal solvation model |
| TD-DFT |
time-dependent density functional theory |
| TS |
transition state |
| UV |
ultraviolet |