Plant-Wide Models for Optimizing the Operation and Maintenance of BTEX-Contaminated Wastewater Treatment and Reuse
Abstract
:1. Introduction
2. Materials and Methods
2.1. Mathematical Model Development
2.1.1. Biodegradation
2.1.2. Gas–Liquid Transfer
2.1.3. Adsorption on Granular Activated Carbon
2.2. Model Configuration
3. Results and Discussion
3.1. SRT-Based Scenarios
3.2. The Effect of Aeration Intensity
3.3. GAC Operational Strategies
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
Nomenclature
α | alpha (wastewater/clean water) correction factor for mass transfer coefficient |
abub | specific contact area between the gas bubble surface and liquid phase [m2 m−3] |
asur | specific contact area between the surface gas and liquid phase [m2 m−3] |
Adiff,sp | area per diffuser [m2] |
Ar | liquid surface [m2] |
β | beta (wastewater/clean water) correction factor for the saturation concentration |
BTC | TOC breakthrough capacity (in concentration unit) [gC m−3] |
BTCm | TOC adsorption capacity (at breakpoint, in mass fraction unit) [gC gAC−1] |
Cmid | midpoint concentration of breakthrough curve, with asymmetry correction [gC m−3] |
Cmid,symm | midpoint concentration of curve, without asymmetry correction [gC m−3] |
coefflead,h,diff | leading coefficient in a diffuser submergence correction term [m−1] |
coefflin,h,diff | linear coefficient in a diffuser submergence correction term [m−1] |
dbub | bubble Sauter mean diameter [m] |
ddiff | diffuser density [m2 m−2] |
Di,25 | diffusion coefficient of gas state variable i in water [m2 d−1] |
divd,diff | divisor value in a diffuser density correction term [m2 m−2] |
ε | gas hold-up [m3gas m−3] |
EQC,ad,total | carbon equivalent for all adsorbed components on a GAC bed [g C m−3] |
expSSOTE | exponent in SSOTE correlation [d m−3gas] |
F | diffuser fouling factor |
Fac | replaced activated carbon mass flow [g d−1] |
fcover | covered fraction of the reactor surface |
FGi | mass flow of gas phase state variable i [g d−1] |
fh,sat,eff | effective saturation depth fraction |
fkL,i | fraction in the liquid side for the mass transfer of gas state variable i |
FLi | mass flow of liquid phase state variable i [g d−1] |
fwave | waviness factor |
Gi | concentration of gas phase state variable i in off-gas, per liquid volume [g m−3] |
Gi,air,inp | concentration of gas phase state variable i in the air input [%V V−1] |
Gi,atm | concentration of gas phase state variable i in the atmosphere [%V V−1] |
Gi,percent | concentration of gas phase state variable i in off-gas, percentage [%V V−1] |
hdiff | diffuser submergence [m] |
hdiff,floor | diffuser height from floor [m] |
Henryi,dt | temperature dependency factor for Henry coefficient of gas i [K] |
Henryi,SATP | Henry coefficient of gas i, standard (SATP) temperature (25 °C) [mol m−3 Pa−1] |
hr | reactor depth [m] |
hsat,eff | effective saturation depth [m] |
hsea | elevation above sea level [m] |
iC,i | equivalent mass of soluble organic state variable i per unit mass of carbon [g gC−1] |
kL,i,bub,st,cw | liquid-side mass transfer coefficient for gas bubbles, standard conditions [m d−1] |
kL,i,sur,st,cw | liquid-side mass transfer coefficient for liquid surface, standard conditions [m d−1] |
kLai,bub | volumetric mass transfer coefficient for gas bubbles, field conditions [d−1] |
kLai,bub,st,cw | volumetric mass transfer coefficient for gas bubbles, standard conditions [d−1] |
kLai,sur | volumetric mass transfer coefficient for liquid surface, field conditions [d−1] |
kLai,sur,st,cw | volumetric mass transfer coefficient for liquid surface, standard conditions [d−1] |
Lair | temperature lapse rate for air pressure calculation [K m−1] |
Li | concentration of liquid phase state variable i [g m−3] |
Li,ad | adsorbed soluble organic state variable i mass per bed volume [g m−3] |
Mac,cycle | mass of activated carbon filled per cycle [g] |
magnmid,asymm | magnitude of the breakthrough curve midpoint asymmetry correction term |
MMair | molar mass of air [g mol−1] |
MMEQ,i | equivalent molar mass of gas phase state variable i [g mol−1] |
ndiff | number of diffusers |
ngas,bub | molar quantity of gas bubbles per unit liquid volume [mol m−3] |
Nrepl | activated carbon bed replacement cycle frequency [d−1] |
pair | air pressure at field elevation [Pa] |
pgas | gas phase pressure [Pa] |
pNTP | pressure at standard (NTP) conditions (101,325 Pa) [Pa] |
powd,diff | power value in a diffuser density correction term |
powh,diff | power value in a diffuser submergence correction term |
powmid,asymm | power of the breakthrough curve midpoint asymmetry correction term |
ppartial,i,bub | partial pressure of gas state variable i in the gas phase [Pa] |
ppartial,i,bub,st | partial pressure of gas state variable i in the gas phase, standard conditions [Pa] |
ppartial,i,sur | partial pressure of gas state variable i in the atmosphere [Pa] |
ppartial,i,sur,st | partial pressure of gas state variable i in the atmosphere, standard conditions [Pa] |
pst,h,sat,eff | pressure at standard conditions and effective saturation depth [Pa] |
pv,T | saturated vapor pressure of water at temperature T [Pa] |
θ | Arrhenius temperature correction factor for the mass transfer coefficient |
Q | volumetric flow of wastewater [m3 d−1] |
Qair,NTP | air flow at standard (NTP) conditions [m3gas d−1] |
Qair,NTP,sp | air flow per diffuser at standard (NTP) conditions [m3gas d−1] |
Qgas,transfer,NTP | gas transfer flow at standard (NTP) conditions [m3gas d−1] |
Qgas,outp,NTP | off-gas flow at standard (NTP) conditions [m3gas d−1] |
ρac | apparent density of granular activated carbon [gAC m−3] |
rateFi | mass rate of state variable i [g d−1] |
ratei | reaction rate for the state variable [g m−3 d−1] |
RemGAC,i | removal ratio of soluble organic state variable i by granular activated carbon |
rj | process rate regarding process j (from Gujer matrix) [g m−3 d−1] |
Si,bub,sat | saturation concentration at the gas bubble interface [g m−3] |
Si,bub,sat,st,cw | saturation concentration at the gas bubble interface, standard conditions [g m−3] |
Si,sur,sat | saturation concentration at the atmospheric interface [g m−3] |
Si,sur,sat,st,cw | saturation concentration at the atmospheric interface, standard conditions [g m−3] |
slbreak | slope of the breakthrough curve [m3 gC−1] |
SO2 | dissolved oxygen concentration [gO2 m−3] |
SOTRbub | standard oxygen transfer rate from bubbles [g d−1] |
SSOTE | specific standard oxygen transfer efficiency [% m−1] |
SSOTE0 | intercept in SSOTE correlation [% m−1] |
SSOTEasym | asymptote in SSOTE correlation [% m−1] |
T | liquid temperature [°C] |
Tair,K | field air temperature [K] |
TK | liquid temperature in an SI unit [K] |
TNTP,K | temperature at standard (NTP) conditions (20 °C) [K] |
trepl | duration of activated carbon bed replacement [d] |
TSATP,K | temperature at standard (SATP) conditions (25 °C) [K] |
Vac | activated carbon bed volume [m3] |
Vgas | gas phase volume [m3gas] |
Vgas,NTP | gas phase volume at standard (NTP) conditions [m3gas] |
vj,i | stoichiometric coefficient of state variable i in process j |
Vr | reactive volume [m3] |
Appendix A. Gujer Matrix Development
Symbol | Process Name |
---|---|
1 | OHO growth on VFAs, O2 |
2 | OHO growth on VFAs, NOx |
3 | OHO growth on benzene, O2 |
4 | OHO growth on benzene, NOx |
5 | OHO growth on toluene, O2 |
6 | OHO growth on toluene, NOx |
7 | OHO growth on ethylbenzene, O2 |
8 | OHO growth on ethylbenzene, NOx |
9 | OHO growth on xylene, O2 |
10 | OHO growth on xylene, NOx |
11 | OHO growth on SB, O2 |
12 | OHO growth on SB, NOx |
13 | SB fermentation with high VFA (OHO growth, anaerobic) |
14 | SB fermentation with low VFA (OHO growth, anaerobic) |
15 | Benzene fermentation with low VFA (OHO growth, anaerobic) |
16 | Toluene fermentation with low VFA (OHO growth, anaerobic) |
17 | Ethylbenzene fermentation with low VFA (OHO growth, anaerobic) |
18 | Xylene fermentation with low VFA (OHO growth, anaerobic) |
19 | OHO decay |
20 | NITO growth |
21 | NITO decay |
22 | AMETO growth |
23 | AMETO decay |
24 | HMETO growth |
25 | HMETO decay |
26 | XB hydrolysis |
27 | XB anaerobic hydrolysis (fermentation) |
28 | SN,B ammonification |
29 | NOx assimilative reduction |
30 | FeP precipitation |
31 | FeP redissolution |
32 | AlP precipitation |
33 | AlP redissolution |
34 | Elimination of surfactants |
35 | Methane gas transfer—bubbles |
36 | Hydrogen gas transfer—bubbles |
37 | Oxygen gas transfer—bubbles |
38 | Nitrogen gas transfer—bubbles |
39 | Benzene gas transfer—bubbles |
40 | Toluene gas transfer—bubbles |
41 | Ethylbenzene gas transfer—bubbles |
42 | Xylene gas transfer—bubbles |
43 | Methane gas transfer—surface |
44 | Hydrogen gas transfer—surface |
45 | Oxygen gas transfer—surface |
46 | Nitrogen gas transfer—surface |
47 | Benzene gas transfer—surface |
48 | Toluene gas transfer—surface |
49 | Ethylbenzene gas transfer—surface |
50 | Xylene gas transfer—surface |
SBENE | STENE | SEBENE | SXENE | SB | XB | SU | XU | XE | XOHO | |
---|---|---|---|---|---|---|---|---|---|---|
1 | 1 | |||||||||
2 | 1 | |||||||||
3 | −1/YOHO,BTEX,ox | 1 | ||||||||
4 | −1/YOHO,BTEX,anox | 1 | ||||||||
5 | −1/YOHO,BTEX,ox | 1 | ||||||||
6 | −1/YOHO,BTEX,anox | 1 | ||||||||
7 | −1/YOHO,BTEX,ox | 1 | ||||||||
8 | −1/YOHO,BTEX,anox | 1 | ||||||||
9 | −1/YOHO,BTEX,ox | 1 | ||||||||
10 | −1/YOHO,BTEX,anox | 1 | ||||||||
11 | −1/YOHO,SB,ox | 1 | ||||||||
12 | −1/YOHO,SB,anox | 1 | ||||||||
13 | −1/YOHO,SB,ana | 1 | ||||||||
14 | −1/YOHO,SB,ana | 1 | ||||||||
15 | −1/YOHO,BTEX,ana | 1 | ||||||||
16 | −1/YOHO,BTEX,ana | 1 | ||||||||
17 | −1/YOHO,BTEX,ana | 1 | ||||||||
18 | −1/YOHO,BTEX,ana | 1 | ||||||||
19 | 1 − fE | fE | −1 | |||||||
21 | 1 − fE | fE | ||||||||
23 | 1 − fE | fE | ||||||||
25 | 1 − fE | fE | ||||||||
26 | 1 | −1 | ||||||||
27 | 1 − fH2 | −1 | ||||||||
29 | −EEQNO3 × XOHO/XBIO,kin | |||||||||
39 | 1 | |||||||||
40 | 1 | |||||||||
41 | 1 | |||||||||
42 | 1 | |||||||||
47 | 1 | |||||||||
48 | 1 | |||||||||
49 | 1 | |||||||||
50 | 1 |
SVFA | |
---|---|
1 | −1/YOHO,VFA,ox |
2 | −1/YOHO,VFA,anox |
13 | (1 − YOHO,SB,ana − YOHO,H2,ana,high)/YOHO,SB,ana |
14 | (1 − YOHO,SB,ana − YOHO,H2,ana,low)/YOHO,SB,ana |
15 | (1 − YOHO,SB,ana − YOHO,H2,ana,low)/YOHO,SB,ana |
16 | (1 − YOHO,SB,ana − YOHO,H2,ana,low)/YOHO,SB,ana |
17 | (1 − YOHO,SB,ana − YOHO,H2,ana,low)/YOHO,SB,ana |
18 | (1 − YOHO,SB,ana − YOHO,H2,ana,low)/YOHO,SB,ana |
22 | −1/YAMETO |
XNITO | XAMETO | XHMETO | |
---|---|---|---|
20 | 1 | ||
21 | −1 | ||
22 | 1 | ||
23 | −1 | ||
24 | 1 | ||
25 | −1 | ||
29 | −EEQNO3 × XNITO/XBIO,kin | −EEQNO3 × XAMETO/XBIO,kin | −EEQNO3 × XHMETO/XBIO,kin |
SNHx | SNOx | SN2 | |
---|---|---|---|
1 | −iN,BIO | ||
2 | −iN,BIO | −(1 − YOHO,VFA,anox)/(EEQN2,NO3 × YOHO,VFA,anox) | (1 − YOHO,VFA,anox)/(EEQN2,NO3 × YOHO,VFA,anox) |
3 | −iN,BIO | ||
4 | −iN,BIO | −(1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) | (1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) |
5 | −iN,BIO | ||
6 | −iN,BIO | −(1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) | (1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) |
7 | −iN,BIO | ||
8 | −iN,BIO | −(1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) | (1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) |
9 | −iN,BIO | ||
10 | −iN,BIO | −(1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) | (1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) |
11 | −iN,BIO | ||
12 | −iN,BIO | −(1 − YOHO,SB,anox)/(EEQN2,NO3 × YOHO,SB,anox) | (1 − YOHO,SB,anox)/(EEQN2,NO3 × YOHO,SB,anox) |
13 | −iN,BIO | ||
14 | −iN,BIO | ||
15 | −iN,BIO | ||
16 | −iN,BIO | ||
17 | −iN,BIO | ||
18 | −iN,BIO | ||
19 | −fE × (iN,XE − iN,BIO) | ||
20 | −1/YNITO − iN,BIO | 1/YNITO | |
21 | −fE × (iN,XE − iN,BIO) | ||
22 | −iN,BIO | ||
23 | −fE × (iN,XE − iN,BIO) | ||
24 | −iN,BIO | ||
25 | −fE × (iN,XE − iN,BIO) | ||
28 | 1 | ||
29 | 1 + EEQNO3 × iN,BIO | −1 | |
38 | 1 | ||
46 | 1 |
SN,B | XN,B | SPO4 | XP,B | SO2 | SCH4 | SH2 | |
---|---|---|---|---|---|---|---|
1 | −iP,BIO | −(1 − YOHO,VFA,ox)/YOHO,VFA,ox | |||||
2 | −iP,BIO | ||||||
3 | −iP,BIO | −(1 − YOHO,BTEX,ox)/YOHO,BTEX,ox | |||||
4 | −iP,BIO | ||||||
5 | −iP,BIO | −(1 − YOHO,BTEX,ox)/YOHO,BTEX,ox | |||||
6 | −iP,BIO | ||||||
7 | −iP,BIO | −(1 − YOHO,BTEX,ox)/YOHO,BTEX,ox | |||||
8 | −iP,BIO | ||||||
9 | −iP,BIO | −(1 − YOHO,BTEX,ox)/YOHO,BTEX,ox | |||||
10 | −iP,BIO | ||||||
11 | −iP,BIO | −(1 − YOHO,SB,ox)/YOHO,SB,ox | |||||
12 | −iP,BIO | ||||||
13 | −iP,BIO | YOHO,H2,ana,high/YOHO,SB,ana | |||||
14 | −iP,BIO | YOHO,H2,ana,low/YOHO,SB,ana | |||||
15 | −iP,BIO | YOHO,H2,ana,low/YOHO,BTEX,ana | |||||
16 | −iP,BIO | YOHO,H2,ana,low/YOHO,BTEX,ana | |||||
17 | −iP,BIO | YOHO,H2,ana,low/YOHO,BTEX,ana | |||||
18 | −iP,BIO | YOHO,H2,ana,low/YOHO,BTEX,ana | |||||
19 | (1 − fE) × iN,BIO | (1 − fE) × iP,BIO | |||||
20 | −iP,BIO | −(EEQNO3 − YNITO)/YNITO | |||||
21 | (1 − fE) × iN,BIO | (1 − fE) × iP,BIO | |||||
22 | −iP,BIO | (1 − YAMETO)/YAMETO | |||||
23 | (1 − fE) × iN,BIO | (1 − fE) × iP,BIO | |||||
24 | −iP,BIO | (1 − YHMETO)/YHMETO | −1/YHMETO | ||||
25 | (1 − fE) × iN,BIO | (1 − fE) × iP,BIO | |||||
26 | XN,B/XB | −XN,B/XB | XP,B/XB | −XP,B/XB | |||
27 | XN,B/XB | −XN,B/XB | XP,B/XB | −XP,B/XB | fH2 | ||
28 | −1 | ||||||
29 | EEQNO3 × iP,BIO | ||||||
30 | −fP,Fe | ||||||
31 | fP,Fe | ||||||
32 | −fP,Al | ||||||
33 | fP,Al | ||||||
35 | 1 | ||||||
36 | 1 | ||||||
37 | 1 | ||||||
43 | 1 | ||||||
44 | 1 | ||||||
45 | 1 |
SALK | XFeOH | XFeP | XAlOH | XAlP | |
---|---|---|---|---|---|
1 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
2 | (−(1 − YOHO,VFA,anox)/(EEQN2,NO3 × YOHO,VFA,anox) × CHNO3 − iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
3 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
4 | (−(1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) × CHNO3 − iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
5 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
6 | (−(1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) × CHNO3 − iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
7 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
8 | (−(1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) × CHNO3 − iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
9 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
10 | (−(1 − YOHO,BTEX,anox)/(EEQN2,NO3 × YOHO,BTEX,anox) × CHNO3 − iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
11 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
12 | (−(1 − YOHO,SB,anox)/(EEQN2,NO3 × YOHO,SB,anox) × CHNO3 − iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
13 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
14 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
15 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
16 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
17 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
18 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
19 | −fE × (iN,XE − iN,BIO) × CHNHx | ||||
20 | ((−1/YNITO − iN,BIO) × CHNHx + 1/YNITO × CHNO3 − iP,BIO × CHPO4) | ||||
21 | −fE × (iN,XE − iN,BIO) × CHNHx | ||||
22 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
23 | −fE × (iN,XE − iN,BIO) × CHNHx | ||||
24 | (−iN,BIO × CHNHx − iP,BIO × CHPO4) | ||||
25 | −fE × (iN,XE − iN,BIO) × CHNHx | ||||
26 | XP,B/XB × CHPO4 | ||||
27 | XP,B/XB × CHPO4 | ||||
28 | CHNHx | ||||
29 | ((1 + EEQNO3 × iN,BIO) × CHNHx − CHNO3 + EEQNO3 × iP,BIO × CHPO4) | ||||
30 | −fP,Fe × CHPO4 | −1 | 1 | ||
31 | fP,Fe × CHPO4 | 1 | −1 | ||
32 | −fP,Al × CHPO4 | −1 | 1 | ||
33 | fP,Al × CHPO4 | 1 | −1 |
SALPHA | GCH4 | GH2 | GO2 | GN2 | GBENE | GTENE | GEBENE | GXENE | |
---|---|---|---|---|---|---|---|---|---|
34 | 1 | ||||||||
35 | −1 | ||||||||
36 | −1 | ||||||||
37 | −1 | ||||||||
38 | −1 | ||||||||
39 | −1 | ||||||||
40 | −1 | ||||||||
41 | −1 | ||||||||
42 | −1 |
Rate | |
---|---|
1 | µOHO,T × XOHO × MsatSVFA,KVFA × MsatSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
2 | µOHO,T × XOHO × ηOHO,anox × MsatSVFA,KVFA × MsatSNOx,KNOx,OHO × MinhSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
3 | µOHO,BENE,T × XOHO × MsatSBENE,KBENE × MsatSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
4 | µOHO,BENE,T × XOHO × ηOHO,anox × MsatSBENE,KBENE × MsatSNOx,KNOx,OHO × MinhSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
5 | µOHO,TENE,T × XOHO × MsatSTENE,KTENE × MsatSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
6 | µOHO,TENE,T × XOHO × ηOHO,anox × MsatSTENE,KTENE × MsatSNOx,KNOx,OHO × MinhSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
7 | µOHO,EBENE,T × XOHO × MsatSEBENE,KEBENE × MsatSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
8 | µOHO,EBENE,T × XOHO × ηOHO,anox × MsatSEBENE,KEBENE × MsatSNOx,KNOx,OHO × MinhSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
9 | µOHO,XENE,T × XOHO × MsatSXENE,KXENE × MsatSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
10 | µOHO,XENE,T × XOHO × ηOHO,anox × MsatSXENE,KXENE × MsatSNOx,KNOx,OHO × MinhSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
11 | µOHO,T × MsatSB,KSB × MinhSVFA,KVFA × XOHO × MsatSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
12 | µOHO,T × ηOHO,anox × MsatSB,KSB × MinhSVFA,KVFA × XOHO × MsatSNOx,KNOx,OHO × MinhSO2,KO2,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO |
13 | µFERM,OHO,T × XOHO × LogsatSVFA,KVFA,FERM × MsatSB,KSB,ana × MinhSO2,KO2,OHO × MinhSNOx,KNOx,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
14 | µFERM,OHO,T × XOHO × LoginhSVFA,KVFA,FERM × MsatSB,KSB,ana × MinhSO2,KO2,OHO × MinhSNOx,KNOx,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
15 | µFERM,OHO,BENE,T × XOHO × LoginhSVFA,KVFA,FERM × MsatSBENE,KBENE,ana × MinhSO2,KO2,OHO × MinhSNOx,KNOx,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
16 | µFERM,OHO,TENE,T × XOHO × LoginhSVFA,KVFA,FERM × MsatSTENE,KTENE,ana × MinhSO2,KO2,OHO × MinhSNOx,KNOx,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
17 | µFERM,OHO,EBENE,T × XOHO × LoginhSVFA,KVFA,FERM × MsatSEBENE,KEBENE,ana × MinhSO2,KO2,OHO × MinhSNOx,KNOx,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
18 | µFERM,OHO,XENE,T × XOHO × LoginhSVFA,KVFA,FERM × MsatSXENE,KXENE,ana × MinhSO2,KO2,OHO × MinhSNOx,KNOx,OHO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
19 | bOHO,T × XOHO × (MsatSO2,KO2,OHO + ηb,anox × MsatSNOx,KNOx,OHO × MinhSO2,KO2,OHO + ηb,ana × MinhSNOx,KNOx,OHO × MinhSO2,KO2,OHO) |
20 | µNITO,T × MsatSNHx,KNHx,NITO × XNITO × MsatSO2,KO2,NITO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
21 | bNITO,T × XNITO × (MsatSO2,KO2,NITO + ηb,anox × MsatSNOx,KNOx,NITO × MinhSO2,KO2,NITO + ηb,ana × MinhSNOx,KNOx,NITO × MinhSO2,KO2,NITO + mtox,ana) |
22 | µAMETO,T × HsatSVFA,AMETO × XAMETO × MinhSO2,KiO2,AMETO × MinhSNOx,KNOx,AMETO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
23 | bAMETO,T × XAMETO × (MsatSO2,KiO2,AMETO + ηb,anox × MsatSNOx,KNOx,AMETO × MinhSO2,KiO2,AMETO + ηb,ana × MinhSNOx,KNOx,AMETO × MinhSO2,KiO2,AMETO) |
24 | µHMETO,T × MsatSH2,KH2,HMETO × XHMETO × MinhSO2,KiO2,HMETO × MinhSNOx,KNOx,HMETO × MsatSNHx,KNHx,BIO × MsatSPO4,KPO4,BIO × MsatSALK,KALK |
25 | bHMETO,T × XHMETO × (MsatSO2,KiO2,HMETO + ηb,anox × MsatSNOx,KNOx,HMETO × MinhSO2,KiO2,HMETO + ηb,ana × MinhSNOx,KNOx,HMETO × MinhSO2,KiO2,HMETO) |
26 | qHYD,T × XBIO,kin × MRsatXB,XBIO,kin,KHYD × (MsatSO2,KO2,OHO + ηb,anox × MsatSNOx,KNOx,OHO × MinhSO2,KO2,OHO) × MsatSALK,KALK |
27 | qHYD,T × XBIO,kin × MRsatXB,XBIO,kin,KHYD × ηb,ana × MinhSNOx,KNOx,OHO × MinhSO2,KO2,OHO × MsatSALK,KALK |
28 | qAMMON,T × SN,B × XBIO,kin |
29 | qASSIM,T × MsatSNOx,KNOx,ASSIM × MinhSNHx,KiNHx,ASSIM × XBIO,kin |
30 | qFeOH,PREC,Me × SPO4 × XFeOH |
31 | qFeOH,DISSOL,Me × XFeP × MsatSALK,KALK |
32 | qAlOH,PREC,Me × SPO4 × XAlOH |
33 | qAlOH,DISSOL,Me × XAlP × MsatSALK,KALK |
34 | qALPHA,O2 × XVSS × dampALPHA × (SALPHA,sat — SALPHA) |
35 | kLaGCH4,bub × (SGCH4,bub,sat — SCH4) |
36 | kLaGH2,bub × (SGH2,bub,sat — SH2) |
37 | kLaGO2,bub × (SGO2,bub,sat — SO2) |
38 | kLaGN2,bub × (SGN2,bub,sat — SN2) |
39 | kLaGBENE,bub × (SGBENE,bub,sat — SBENE) |
40 | kLaGTENE,bub × (SGTENE,bub,sat — STENE) |
41 | kLaGEBENE,bub × (SGEBENE,bub,sat — SEBENE) |
42 | kLaGXENE,bub × (SGXENE,bub,sat — SXENE) |
43 | kLaGCH4,sur × (SGCH4,sur,sat — SCH4) |
44 | kLaGH2,sur × (SGH2,sur,sat — SH2) |
45 | kLaGO2,sur × (SGO2,sur,sat — SO2) |
46 | kLaGN2,sur × (SGN2,sur,sat — SN2) |
47 | kLaGBENE,sur × (SGBENE,sur,sat — SBENE) |
48 | kLaGTENE,sur × (SGTENE,sur,sat — STENE) |
49 | kLaGEBENE,sur × (SGEBENE,sur,sat — SEBENE) |
50 | kLaGXENE,sur × (SGXENE,sur,sat — SXENE) |
Symbol | Name | Expression |
---|---|---|
Msat(var; k) | Monod saturation | var/(k + var) |
Minh(var; k) | Monod inhibition | k/(k + var) |
MRsat(s;x;k) | Monod ratio saturation | (s/x)/(s/x + k) |
Logsat(var; halfval; slope) | Logistic saturation | 1/(1 + Exp((halfval − var) × slope)) |
Loginh(var; halfval; slope) | Logistic inhibition | 1/(1 + Exp((var − halfval) × slope)) |
Hsat(var; halfval; halfinh) | Haldane equation | var/(halfval + var + (var2/halfinh)) |
Appendix B. BTEX Kinetic and Stoichiometric Model Parameters
Ordinary Heterotrophic Organism Kinetics (OHO) | |||
---|---|---|---|
Symbol | Name | Value | Unit |
µOHO,BENE | Maximum specific growth rate of OHOs on benzene | 0.006 | d−1 |
µOHO,TENE | Maximum specific growth rate of OHOs on toluene | 0.014 | d−1 |
µOHO,EBENE | Maximum specific growth rate of OHOs on ethylbenzene | 0.014 | d−1 |
µOHO,XENE | Maximum specific growth rate of OHOs on xylene | 0.010 | d−1 |
µFERM,OHO,BENE | Fermentation growth rate of OHOs on benzene | 0.0030 | d−1 |
µFERM,OHO,TENE | Fermentation growth rate of OHOs on toluene | 0.0042 | d−1 |
µFERM,OHO,EBENE | Fermentation growth rate of OHOs on ethylbenzene | 0.0035 | d−1 |
µFERM,OHO,XENE | Fermentation growth rate of OHOs on xylene | 0.0050 | d−1 |
KBENE | Half-saturation of benzene for OHOs | 6.8 | gCOD m−3 |
KTENE | Half-saturation of toluene for OHOs | 14.8 | gCOD m−3 |
KEBENE | Half-saturation of ethylbenzene for OHOs | 3.8 | gCOD m−3 |
KXENE | Half-saturation of xylene for OHOs | 17.6 | gCOD m−3 |
KBENE,ana | Half-saturation of benzene in fermentation by OHOs | 238 | gCOD m−3 |
KTENE,ana | Half-saturation of toluene in fermentation by OHOs | 310 | gCOD m−3 |
KEBENE,ana | Half-saturation of ethylbenzene in fermentation by OHOs | 67 | gCOD m−3 |
KXENE,ana | Half-saturation of xylene in fermentation by OHOs | 615 | gCOD m−3 |
Stoichiometric yields | |||
Symbol | Name | Value | Unit |
YOHO,BTEX,ox | Yield of OHOs on BTEX under aerobic conditions | 0.55 | g XOHO g SBTEX−1 |
YOHO,BTEX,anox | Yield of OHOs on BTEX under anoxic conditions | 0.35 | g XOHO g SBTEX−1 |
YOHO,BTEX,ana | Yield of OHOs on BTEX under anaerobic conditions | 0.10 | g XOHO g SBTEX−1 |
Appendix C. Gas Transfer, Aeration and BTEX Model Parameters
Henry Coefficients | |||
---|---|---|---|
Symbol | Name | Value | Unit |
HenryBENE,25 | Henry coefficient for benzene at 25 °C | 1.70 × 10−3 | mol m−3 Pa−1 |
HenryBENE,dt | Henry’s law temperature dependency factor of benzene | 4150 | K |
HenryTENE,25 | Henry coefficient for toluene at 25 °C | 1.50 × 10−3 | mol m−3 Pa−1 |
HenryTENE,dt | Henry’s law temperature dependency factor of toluene | 4150 | K |
HenryEBENE,25 | Henry coefficient for ethylbenzene at 25 °C | 1.27 × 10−3 | mol m−3 Pa−1 |
HenryEBENE,dt | Henry’s law temperature dependency factor of ethylbenzene | 5100 | K |
HenryXENE,25 | Henry coefficient for xylene at 25 °C | 1.56 × 10−3 | mol m−3 Pa−1 |
HenryXENE,dt | Henry’s law temperature dependency factor of xylene | 4083 | K |
Diffusion coefficients | |||
Symbol | Name | Value | Unit |
DBENE,25 | Diffusion coefficient of benzene in water at 25 °C | 9.13 × 10−5 | m2 d−1 |
DTENE,25 | Diffusion coefficient of toluene in water at 25 °C | 7.89 × 10−5 | m2 d−1 |
DEBENE,25 | Diffusion coefficient of ethylbenzene in water at 25 °C | 7.27 × 10−5 | m2 d−1 |
DXENE,25 | Diffusion coefficient of xylene in water at 25 °C | 7.08 × 10−5 | m2 d−1 |
Oxygen transfer efficiency correlation parameters | |||
Symbol | Name | Value | Unit |
SSOTE0 | Intercept in SSOTE correlation | 7.77 | % m−1 |
expSSOTE | Exponent (absolute value) in SSOTE correlation | 0.01041 | d m−3gas |
SSOTEasym | Asymptote in SSOTE correlation | 5.75 | % m−1 |
divd,diff | Divisor value in a diffuser density correction term | 0.1173 | m2 m−2 |
powd,diff | Power value in a diffuser density correction term | 0.1329 | |
coefflead,h,diff | Leading coefficient in a diffuser submergence correction term | 0.011 | m−1 |
powh,diff | Power value in a diffuser submergence correction term | 1.6031 | |
coefflin,h,diff | Linear coefficient in a diffuser submergence correction term | −0.0229 | m−1 |
Specific molecular masses | |||
Symbol | Name | Value | Unit |
MMEQ,GBENE | Equivalent molar mass of benzene | 239.97 | gCOD mol−1 |
MMEQ,GTENE | Equivalent molar mass of toluene | 287.96 | gCOD mol−1 |
MMEQ,GEBENE | Equivalent molar mass of ethylbenzene | 335.95 | gCOD mol−1 |
MMEQ,GXENE | Equivalent molar mass of xylene | 335.95 | gCOD mol−1 |
Appendix D. GAC Model Parameters
State Variable Equivalent Mass Ratios to Carbon | |||
---|---|---|---|
Symbol | Name | Value | Unit |
iC,VFA | COD-to-carbon-mass ratio of VFA | 5.33 | gCOD gC−1 |
iC,BENE | COD-to-carbon-mass ratio of benzene | 19.98 | gCOD gC−1 |
iC,TENE | COD-to-carbon-mass ratio of toluene | 23.98 | gCOD gC−1 |
iC,EBENE | COD-to-carbon-mass ratio of ethylbenzene | 27.97 | gCOD gC−1 |
iC,XENE | COD-to-carbon-mass ratio of xylene | 27.97 | gCOD gC−1 |
iC,SB | COD-to-carbon-mass ratio of readily biodegradable substrate | 3.20 | gCOD gC−1 |
iC,SU | COD-to-carbon-mass ratio of soluble unbiodegradable organics | 2.80 | gCOD gC−1 |
iC,SN,B | Nitrogen-to-carbon-mass ratio of soluble biodegradable organic N | 1.17 | gN gC−1 |
Breakthrough curve parameters | |||
Symbol | Name | Value | Unit |
fbreak | Breakpoint fraction | 0.05 | |
slbreak | Breakthrough curve slope | 0.00015 | m3 g−1 |
powmid,asymm | Power of the midpoint asymmetry correction term | 20.00 | |
magnmid,asymm | Magnitude of the midpoint asymmetry correction term | 0.50 |
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Parameter | Value | Unit |
---|---|---|
Influent properties | ||
Flow | 18,446 | m3 d−1 |
COD | 360 | gCOD m−3 |
Filtered COD | 144 | gCOD m−3 |
TOC | 114 | gC m−3 |
TKN | 47 | gN m−3 |
NH4-N | 30 | gN m−3 |
Tank dimensions | ||
Anoxic 1 zone volume | 1000 | m3 |
Anoxic 2 zone volume | 1000 | m3 |
Aerobic 1 zone volume | 1333 | m3 |
Aerobic 2 zone volume | 1333 | m3 |
Aerobic 3 zone volume | 1333 | m3 |
Clarifier surface area | 1500 | m2 |
Clarifier depth | 4 | m |
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Bencsik, D.; Wadhawan, T.; Házi, F.; Karches, T. Plant-Wide Models for Optimizing the Operation and Maintenance of BTEX-Contaminated Wastewater Treatment and Reuse. Environments 2024, 11, 88. https://doi.org/10.3390/environments11050088
Bencsik D, Wadhawan T, Házi F, Karches T. Plant-Wide Models for Optimizing the Operation and Maintenance of BTEX-Contaminated Wastewater Treatment and Reuse. Environments. 2024; 11(5):88. https://doi.org/10.3390/environments11050088
Chicago/Turabian StyleBencsik, Dániel, Tanush Wadhawan, Ferenc Házi, and Tamás Karches. 2024. "Plant-Wide Models for Optimizing the Operation and Maintenance of BTEX-Contaminated Wastewater Treatment and Reuse" Environments 11, no. 5: 88. https://doi.org/10.3390/environments11050088