Table 2.
Initial simulation conditions for the aerobic case study: initial concentrations refer to the total (i.e., protonated and un-protonated forms) concentration of the chemical compounds; the CO2 concentration presented in this table includes CO2, H2CO3, and forms, while NH3 refers to the total concentration of free ammonia (NH3) and ammonium ion (); both NO2 and NO3 terms incorporate the nitric/nitrous acid and their corresponding ion concentrations.
Aerobic system | ||||||
---|---|---|---|---|---|---|
Simulation conditions | Simulation # | |||||
1a | 2a | 3a | 4a | 5a | ||
Concentration (mg/L) | Top boundary conditions | |||||
O2 | 9 | Fixed | Fixed | Fixed | Fixed | Fixed |
CO2 | 88 | Fixed | Fixed | Fixed | Fixed | Fixed |
NH3 | 30 | Fixed | Variable | Fixed | Variable | Variable |
NO2 | 0 | Fixed | Variable | Fixed | Variable | Variable |
NO3 | 0 | Fixed | Variable | Fixed | Variable | Variable |
Initial value | pH Control | |||||
pH | 7.5 | Constant | Constant | Free | Free | Buffered |
Simulation descriptor | ||||||
Fixed BC —constant pH |
Dynamic BC —constant pH |
Fixed BC —free pH |
Dynamic BC —free pH |
Dynamic BC —buffered pH |