Mathematical modelling of wastewater treatment

technologies in industrial water circuits

Mid Term Conference, Oviedo
14th June, Oviedo
P. Grau, I. Lizarralde and L. Sancho
Rising costs and scarcity of water encourages the study of new water
treatment technologies and strategies for reusing water in water
networks in mills
The wide variety of technologies, the different water qualities at
each point in the network and the multiple sources/sinks make
difficult to find the optimum solution
Introduction and Objectives
difficult to find the optimum solution
The use of mathematical models and simulation tools can be very
helpful on this task
Objective:
To develop a library of mathematical models able to reproduce
the behaviour of some traditional and novel wastewater
treatments
Part of the WQMT
Databases
Study by
dynamic/ steady-
state simulations:
Steady-state model
library
SOFTWARE TOOL
Dynamic model library
Water treatment
technologies
Integrated water
circuits
Optimum water
circuits
library
Library of Unit-Process models
Water Solids separation
Unit Processes
Settler
DAF
Biological Unit Processes
Activated Sludge unit
MBR
MBBR
MF, UF
NF, RO
3FM
FACT
Evapoconcentrator
Electrodialysis
Anaerobic unit (UASB)
Denutritor
Chemical Unit processes
AOPs
Disinfection (O
3
, Cl
2
, UV)
Coagulation-flocculation
Mathematical structure of the models
IWM: common method to construct mathematical
models that guarantees mass and heat energy continuity
Definition of a Common Components List
Gathers all relevant components/measurements in internal
processes in the mills and wastewater treatment technologies processes in the mills and wastewater treatment technologies
Definition of mass and heat balances for all components
Definition of operational and capital costs functions
Modelling of Biological units
Describe the COD removal:
Aerobic conditions:
ASU, MBR, MBBR
Anaerobic conditions:
UASB (COD and SO
4
=
removal)
COD removal is described according to the endogenous
respiration model (Lawrence and McCarty 1970)
S
S
X
BH
X
end
S
o
X
BH
growth -1 Y
H
-(1-Y
H
)
X
BH
decay -1 f
end
-(1-f
end
)
respiration model (Lawrence and McCarty 1970)
Steady-state equations are generated applying mass balances
to the control volume of each biological technology
BH
S S
S
H
H
X
S K
S
Y +
=

BH H
X b =
Biological models: Activated Sludge Unit (ASU)
Mass balance
l / mg 3500 TSS
max

d 8 SRT
Effluent Quality
Variables related with costs
CSTR
SETTLER
Inflow Effluent
Waste
CSTR
SETTLER
Inflow Effluent
Waste
(
(
(
(
(

+
|
|

\
|
+
+

+
+

= SRT X
f
SRT X
SRT b 1
) BOD BOD ( Y SRT
SRT b f
SRT b 1
) BOD BOD ( Y SRT

TSS
1
HRT
0 , II
TSS _ COD
0 , I
H
ef 0 H
H end
H
ef 0 H
max
min
( ) [ ]
( ) ( )
ns H H
H ns s
eff
f 1 b SRT
b SRT f 1 K
BOD

+
=
( )
( )
(

=
LM , BH H end
COD H ASU
req
X b f 1
HRT
S Y 1

1000
V
DO
SRT
V
Q
ASU
w
=
inf
min
ASU
Q
HRT
V =
Effluent Quality
Variables related with costs
Biological models: Membrane Bioreactor (MBR)
Mass balance
l / mg 10000 TSS
max

d 35 SRT
Effluent Quality
Variables related with costs
(
(
(
(
(

+
|
|

\
|
+
+

+
+

= SRT X
f
SRT X
SRT b 1
) BOD BOD ( Y SRT
SRT b f
SRT b 1
) BOD BOD ( Y SRT

TSS
1
HRT
0 , II
TSS _ COD
0 , I
H
ef 0 H
H end
H
ef 0 H
max
min
( ) [ ]
( ) ( )
ns H H
H ns s
eff
f 1 b SRT
b SRT f 1 K
BOD

+
=
( )
( )
(

=
LM , BH H end
COD H MBR
req
X b f 1
HRT
S Y 1

1000
V
DO
SRT
V
Q
MBR
w
=
inf
min
MBR
Q
HRT
V =
Effluent Quality
Variables related with costs
Comparison between ASU and MBR

0.80
1.00
1.20
1.40
1.60
1.80
2.00
B
O
D
e
f

(
m
g
C
O
D
/
l
)
ASU
MBR
Effluent Quality Variables related with costs

0.30
0.40
0.50
0.60
0.70
0.80
H
R
T

(
d
)
ASU
MBR
0.00
0.20
0.40
0.60
0.80
0 5000 10000 15000 20000 25000 30000
Mass Flux (kg/d)
B
O
D
e
f

(
m
g
C
O
D
/
l
)
0.00
0.10
0.20
0 5000 10000 15000 20000 25000 30000
Mass Flux (kg/d)

0.00
5000.00
10000.00
15000.00
20000.00
25000.00
30000.00
0 5000 10000 15000 20000 25000 30000
Mass Flux (kg/d)
D
O
r
e
q

(
g
/
d
)
ASU
MBR

0
1000
2000
3000
4000
5000
6000
7000
8000
0 5000 10000 15000 20000 25000 30000
Mass Flux (kg/d)
S
l
u
d
g
e

p
r
o
d
u
c
t
i
o
n

(
k
g
/
d
)
ASU
MBR
Biological models: (UASB)
inf
min
MBR
Q
HRT
V =
Mass balance
l / mg 10000 TSS
max
>
d 30 SRT >

CSTR
SETTLER
Inflow Effluent
Waste
CSTR
SETTLER
Inflow Effluent
Waste
( )
( )
ns
ns
H H
ns
H ns s
eff , 4 SO
f 1
HRT
f
b SRT
HRT
f
b SRT f 1 K
S
|

\
|

(

\
|
+ +
=
=
Effluent Quality Variables related with costs
( )
( )
ns
ns
H H
ns
H ns s
eff , COD
f 1
HRT
f
b SRT
HRT
f
b SRT f 1 K
S
|

\
|

(

\
|
+ +
=
inf
4 4 SO _ COD SRB
SO f COD
=
=
SRT
V
Q
UASB
w
=
inf
min
UASB
Q
HRT
V =
Water-Solids separation Units
Units for separation of suspended solids and colloids
(TSS and TCS)
Settler
Dissolved Air Flotation (DAF)
3FM 3FM
MF-UF (% of dissolved particles TDS)
Units for separation of TDS (organic and ions)
NF-RO
Evapoconcentrator
Electrodyalisis
Units for separation of TSS and TCS:
Settlers and DAFs
Water-Solid separation is based on efficiency rates for TSS and
TCS
f f
Q , TSS
clar clar
Q , TSS
sl sl
Q , TSS
clar
f
f nss _ X
clar
Q
Q
TSS f TSS =
( )
sl
f
f nss _ X
sl
Q
Q
TSS f 1 TSS =
Settler (>1500 mg/l) DAF ( 1000 mg/l)
clar
f
f nss _ X
clar
Q
Q
TSS f TSS =
( )
sl
f
f float _ X
sl
Q
Q
TSS f 1 TSS =
f
X_nss
depends on the TSS
setteability
f
X_float
depends on the air/solids ratio (a
S
):
f
float
= 0.66a
S
+ 0.79
Units for separation of TSS and TCS:
3FMand MF-UF
Water-Solid separation is driven by a pressure drop across the
membrane
perm
Q , Permeate
conc
Q , e Concentrat
inf
Q , Inflow
A
) FF 1 (
P L
Q
p
p
+

=
TDS TCS TSS FF
S C X
+ + =
|

\
|
=
100
R
1 C C
C
f p
3FM (2-5 m)
TSS and TCS removal
Op. Costs:
MF-UF (0.02-0.4 m)
TSS, TCS and % TDS removal
Op. Costs:
conc
Q , e Concentrat
TDS TCS TSS FF
S C X
+ + =
perm E E PE
Q P K OP =
perm E E PE
Q P K OP =
( )
conc E E bwash
Q TDS TCS TSS P K OP + + =
air air E air
Q P K OP =
Units for separation of TDS:
RO, Evapoconcentrator and Electrodialysis
All of them considered as instantaneous separation units:
perm
Q , Permeate
conc
Q , e Concentrat
inf
Q , Inflow
Reverse Osmosis
Calculation of Q
perm
and
TDS
perm
depend on the
technology used
Electrodyalisis
Reverse Osmosis
( )
A
) FF 1 (
P L
Q
p
p
+

=
|
|
|

\
|
+
=
A
Q
B
B
C C
p
f p
11
76 . 0
) 273 ( 19 . 1
|
|

\
|
+ =

conc feed
i i
m m T
Electrodyalisis
p
f p
Q F z
I N
C C


=
Evapoconcentrator
compounds volatile non for 0 C
compounds volatile for C C
p
f p
=
=
Chemical Unit processes: Disinfection
Inactivation related to contact time given by Chicks law:
k values depend on:
Disinfectant: Ozone, chloramine, chlorine, UV radiation
Pathogens: bacteria (e-coli, legionella), virus, cyst, crystosporidium,
m n
o
t
HRT C k
N
N
ln =
Pathogens: bacteria (e-coli, legionella), virus, cyst, crystosporidium,
egg-nematode
Temperature
pH
Chloramine-Virus
-8.00
-7.00
-6.00
-5.00
-4.00
-3.00
-2.00
-1.00
0.00
0.00 0.50 1.00 1.50 2.00
CHRT
l
n
(
n
/
n
o
)
T=5C
T=10C
T=15C
T=20C
T=25C
Conclusions
A library of mathematical models able to describe a set
of traditional and novel wastewater treatment
technologies has been developed
Describe the fate of the most relevant and critical
components in water networks
Models are compatible and directly connectable among Models are compatible and directly connectable among
them
Consider all relevant variables to calculate investment
and operational costs associated to each treatment
Current and future tasks
Implementation and verification of the models in the
software tool
Calibration of the models with experimental data