Mathematical modelling of wastewater treatment

technologies in industrial water circuits

P. Grau, I. Lizarralde and L. Sancho

Mid Term Conference, Oviedo

14th June, Oviedo
Introduction and Objectives

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

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-
Steady-state model state simulations:
library
SOFTWARE TOOL Water treatment
technologies
Dynamic model library
Integrated water
circuits

Optimum water
circuits
Library of Unit-Process models
Biological Unit Processes Water Solids separation
Activated Sludge unit Unit Processes
MBR Settler
MBBR DAF
Anaerobic unit (UASB) MF, UF
Denutritor NF, RO
Chemical Unit processes 3FM
AOPs FACT
Disinfection (O3, Cl2, UV) Evapoconcentrator
Coagulation-flocculation Electrodialysis
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

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:
Anaerobic conditions:

ASU, MBR, MBBR
UASB (COD and SO4= removal)

COD removal is described according to the endogenous

respiration model (Lawrence and McCarty 1970)

SS XBH Xend So H SS
= X BH
XBH growth -1 YH -(1-YH) YH K S + S S
XBH decay -1 fend -(1-fend) = bH X BH

Steady-state equations are generated applying mass balances
to the control volume of each biological technology
Biological models: Activated Sludge Unit (ASU)
Waste

TSS max 3500 mg / l

Inflow SETTLER Effluent
CSTR
SRT 8 d
Mass balance
Effluent Quality Variables related with costs
HRTmin VASU
Ks [(1 f ns ) + SRTb H ] VASU =
Qinf
Qw =
SRT
BODeff =
SRT(H b H ) (1 f ns )
VASU (1 YH )SCOD
DOreq = + (1 f end )b H X BH, LM
1000 HRT

SRTYH (BOD0 BODef ) SRTYH (BOD0 BODef )

+ f b
end H SRT + X I ,0 SRT

1 + b H SRT 1 + b H SRT + X II,0 SRT
1
HRTmin =
TSSmax f COD _ TSS


Biological models: Membrane Bioreactor (MBR)
TSS max 10000 mg / l
SRT 35 d
Mass balance
Effluent Quality Variables related with costs
HRTmin VMBR
Ks [(1 f ns ) + SRTb H ] VMBR =
Qinf
Qw =
SRT
BODeff =
SRT(H b H ) (1 f ns )
VMBR (1 YH )SCOD
DOreq = + (1 f end )b H X BH, LM
1000 HRT

SRTYH (BOD0 BODef ) SRTYH (BOD0 BODef )

+ f b
end H SRT + X I ,0 SRT

1 + b H SRT 1 + b H SRT + X II,0 SRT
1
HRTmin =
TSSmax f COD _ TSS


 Comparison between ASU and MBR
Effluent Quality Variables related with costs
2.00

1.80 ASU ASU

1.60 MBR 0.80 MBR
BODef (mgCOD/l)

0.70
1.40
0.60
1.20

HRT (d)
0.50
1.00 0.40
0.80 0.30
0.20
0.60
0.10
0.40 0.00
0.20 0 5000 10000 15000 20000 25000 30000

0.00 Mass Flux (kg/d)

0 5000 10000 15000 20000 25000 30000
M ass Flux (kg/d) 30000.00
8000
ASU

Sludge production (kg/d)

25000.00 7000 ASU
MBR
MBR
6000
20000.00
DOreq (g/d)

5000

15000.00 4000

3000
10000.00
2000
5000.00
1000

0.00 0
0 5000 10000 15000 20000 25000 30000 0 5000 10000 15000 20000 25000 30000

M ass Flux (kg/d) Mass Flux (kg/d)

 Biological models: (UASB)
Waste
TSS max > 10000 mg / l
Inflow SETTLER Effluent
CSTR
SRT > 30 d VMBR =
HRTmin
Qinf

Mass balance

Effluent Quality Variables related with costs

CODSRB = f COD _ SO 4 SO 4 =inf
f HRTmin VUASB
K s (1 f ns ) + SRT b H + ns
HRT VUASB = Qw =
SSO 4 =,eff = Qinf SRT
f
SRT H b H ns (1 f ns )
HRT

f
K s (1 f ns ) + SRT b H + ns
HRT
SCOD,eff =
f
SRT H b H ns (1 f ns )
HRT
Water-Solids separation Units

Units for separation of suspended solids and colloids
(TSS and TCS)

Settler

Dissolved Air Flotation (DAF)

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
TSSf , Qf TSSclar , Qclar

TSSsl , Qsl

Settler (>1500 mg/l)
DAF (

1000 mg/l)
Qf Qf
TSSclar = f X _ nss TSSf TSSclar = f X _ nss TSSf
Qclar Qclar
Qf
( )
TSSsl = 1 f X _ nss TSSf
Qsl
(
TSSsl = 1 f X _ float ) Q
TSSf f
Qsl

fX_nss depends on the TSS fX_float depends on the air/solids ratio (aS):
setteability ffloat = 0.66aS + 0.79
Units for separation of TSS and TCS:
3FM and MF-UF

Water-Solid separation is driven by a pressure drop across the
membrane
L p P R
Inflow, Qinf Permeate, Q perm Qp = A Cp = Cf 1 C
(1 + FF) 100

Concentrate, Qconc FF = X TSS + C TCS + S TDS

3FM (2-5 m)
MF-UF (0.02-0.4 m)

TSS and TCS removal
TSS, TCS and % TDS removal

Op. Costs:
Op. Costs:
OPPE = K E PE Q perm OPPE = K E PE Q perm
OPair = K E Pair Qair OPbwash = K E PE (TSS + TCS + TDS )Q conc
Units for separation of TDS:
RO, Evapoconcentrator and Electrodialysis

All of them considered as instantaneous separation units:
Inflow, Qinf Permeate, Q perm Calculation of Qperm and
TDSperm depend on the
technology used
Concentrate, Qconc

Reverse Osmosis
Electrodyalisis

L p (P ) NI
Qp = A C p = Cf
(1 + FF) z F Qp
0.76
= 1.19(T + 273) mi mi

Evapoconcentrator
conc feed 11
Cp = Cf for volatile compounds

B Cp = 0 for non volatile compounds
C p = Cf
Q
B+ p
A
 Chemical Unit processes: Disinfection

Inactivation related to contact time given by Chicks law:
N
ln t = k C n HRT m
No

k values depend on:

Disinfectant: Ozone, chloramine, chlorine, UV radiation

Pathogens: bacteria (e-coli, legionella), virus, cyst, crystosporidium,
egg-nematode
Chloramine-Virus

Temperature
CHRT

pH 0.00
0.00 0.50 1.00 1.50 2.00

-1.00 T=5C
-2.00 T=10C
T=15C
ln(n/no)

-3.00
T=20C
-4.00 T=25C

-5.00

-6.00

-7.00

-8.00
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
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