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U. Zaher1 , C.O. Stockle1, S. Chen1 and P. A. Vanrolleghem2
Continuity Constrained Modeling of MultiContinuity Constrained Modeling of Multi--molecular molecular Transformations Transformations
forIntegrated MultiIntegrated Multi--scale Assessment of the Environment scale Assessment of the Environment
1Biological Systems Engineering, WSU, USA2modelEAU, Universite´ Laval, Canada
ACS NORM/RMRM, June 21, 2010, Pullman, WA
Good
ChallengeChallenge
Fair
TREATED WASTEWATER
INDUSTRY
Slide - [email protected]
Poor
RAW SEWAGE
AGRICULTURE
MINING
2
OutlineOutline
Sustainabilitydecision support
LCA &
Bio-refinery
On-line Monitoring
& Control
Bio-remediation
Optimization
LCA & Economics
Integrated environmental systems
modeling
Environmental Biotechnology
Research
(III) Life Cycle Assessment
Slide - [email protected]
& Control
Model based experimental design
Modeling kinetics
& biological systems
BiorefineryProcessDesign
Presentation’s methodology focus
Highlighted results
Classical Biological Model Formulation
Theoretical Chemical Oxygen Demand
, ,/ ( )n
kk in k j k j
j
dxQ V x x
dt
CSTR
CFD
TransportTransport
Slide - [email protected]
ad- and desorptionDispersion
Advection
Diffusion
3
Continuity Constrained Modeling
BiochemicalChemical
Physical
l
, , 0j k j Compk
i , , , , ,with Comp Thod C N H O e
& other elements
Slide - [email protected]
∆G <0
& other elements
S
N Particulate X0
HydrolysisNutrients release
On the Cell Scale: On the Cell Scale: Why continuity of nutrients !?
S NIn Vivo In Vitro
Soluble COD S1
VFA S2
CO2
X1
X2
Acidogenesis
H2
N t i t
Ex: solid waste degradation
Calibration
Slide - [email protected]
CH4
Methanogenesis
X3Nutrients recovery
Nutrients uptake
Zaher et al., Applied Mathematical Modelling (2009), 33 (9), 3553–3564.Larger Scale
Experimental Design
4
22 1 2
12 2 21 1 1 1 2
4 3 22 1 3 2
2 1 2 31 3 2
1 1 2 1 2 3
2.303[ ].
[ ] 4 [ ]11
([ ] ) ([ ] [ ] )
[ ] 4 [ ] ( 9 ) [ ]
(4[ ] )
([ ] [ ] [ ]
l ma a a
i a j ai ja a a ai j
a a a a
a a a ak a
a a a a a a
H
H K H K KC K C K
H K H K H K K
H K H K K K H
H K K K KC K
H K H K K H K K K
21 )
n
k
S
N
Why continuity of charge ?Mono-protic Di-protic
k
Ac-+H+ HAc
CO2 + H2
pH=7
ATP
HAc
Ac-+H+
H+
pH>7pH<7
30
40
50
60
70
Ammonia
CarbonVFA
acit
y m
mol
/pH
/l
Tri-protic
Slide - [email protected]
½ mol Glucose Fermentation
2ATP ADP + Pi
Zaher & Vanrolleghem, Analytical and BioanalyticalChemistry, (2005) , 383(4), 605-618.
0
10
20
3 4 5 6 7 8 9 10 11
Buf
fer
cap
pH
On the Pilot Scale: On the Pilot Scale: Example from Wine Industryultrafiltration membrane(0,14 µm)
Biogas
gasflowmeter
CH4/CO2 sensor
H2 sensor
cit
y m
eq
/l/p
H
VFABicarbonate
Temperaturesensor
Pump
1 m3Up-FlowFixed BedReactor Bu
ffe
r C
ap
ac
50
60
Slide - [email protected]
Zaher et al., IWA, World Congress on Anaerobic Digestion (2004), Vol. 1, 330-336.
pump
liquidflowmeter
NaOH storage
OutputpH sensormixing
pump
0
10
20
30
40
50 60 70 80 90 100 110time h
CO
D lo
ad k
g/d
5
On the Full Reactor Scale On the Full Reactor Scale Bio-Physico-Chemical Complexity
Composites
Li id
CO 2
CH 4
H 2
H 2O GasOverload
Inerts
Proteins Carbohydrates Fats
MSAA
HAc, HPr, HBu, HVa LCFAAc -, Pr -, Bu -, Va -, HCO 3
-, NH 4+, LCFA -
Death/Decay
Liquid
Bio
chem
ical
Gas
lactate
Toxicity
Disintegration
Hydrolysis
Acidogenesis
Acetogenesis
DissociationVFA
Slide - [email protected]
HAc H 2
CO2
CH4
H 2O
Microbes
3HCO-
NH 3 NH 4+
Physico-chemical
Gas
Toxicity
e.g. Ammonia, Cyanide,…
Acetogenesis
Methanogenesis Gas stripping
In view of the International Water Association (IWA) ADM1
Continuity Resolves the Complexity Maintaining the Bio-Physico-Chemical Cascade
Sva Sbu Spro Sac SIC SINSh2 Sch424 components
tio
ns
19 r
eact
Slide - [email protected]
6
On the Scale of Process ChainOn the Scale of Process Chain
Anaerobic DigesterConventional Activated Sludge
50%CO97-80%
O2=Energy inputEnergy output
Aeration
COD100%
COD100%
50%CO2 CH4+CO2gy p
Settling
Return
Waste
Slide - [email protected]
50% sludge3-20% sludge
Transformer models: Transformer models: Continuity for integrated assessment
Influx Outflux
Slide - [email protected]
, , , , , , ,0j k j Comp with Comp Thod C N H O ek
i , 1,
1
n
j k j k for k Pj
Influx
, 1,1
n
k j k j for k P P Qj
Outflux
Developed at UGENTUpgraded at WSUApplications: UGENT : Plant-wide modelingWSU : High solids digestion
7
The Activated Sludge Benchmark Simulation Model No.1
European project COST action 624
On the PlantOn the Plant--Wide scaleWide scale
IWA taskgroup on benchmarking WWT control strategies
European project COST action 624
TransformersASM1
Slide - [email protected]
Sludge treatment facilities
ADM1
Developed at UGENT
Interface
AS IWA ADM1
On the treatment centers’ scaleOn the treatment centers’ scaleCo-digestion in Biogas plant
Anaerobic
Digester
Model ADM1
Input
Slide - [email protected]
Waste Characteristics
8
Waste practical characteristics ADM1 Input
Transformer: general ADM1 interface
bohy
drat
es
Pro
tein
s
Lipi
ds
Car
b
Slide - [email protected]
C
N
P
Co-digestion Model for Biogas Plants
Slide - [email protected]
Zaher et al., IWA Publishing, Water Research (2009), 43(10), 2717-2727
9
Co-digestion optimization
WSU in cooperation withINRA, FranceLUND University, Sweden
Gas
flo
w (
m3 /d
)
Slide - [email protected]
Kitchen waste ratio
HRT days
G
Whatcom
Energy production EIA
Soil fertility/pollution
Impacts
On the EcoOn the Eco--System ScaleSystem ScaleLife Cycle Assessment
GIS – Resource inventory Processing
Yakima
King
Okanogan
Grant
Ferry
Lewis
Chelan
Clallam
Kittitas
Lincoln
Stevens
PierceAdams
Benton
Klickitat
Whitman
JeffersonDouglas Spokane
Snohomish
Pacific
Skamania
Grays Harbor
Cowlitz
Franklin
Mason
Clark
Walla Walla Asotin
Garfield
Kitsap
Thurston
SkagitPend Oreille
Columbia
Island
San Juan
Wahkiakum
Thermochemical
Biochemical
Physicochemical
Interface Wastewater
Solid waste/Residuals
off-Gas
Treatment Models
Interface
Interface
Interface
Interface Feedstock
Air pollution
Bio-refinery Process Models
InI I
river water pollution
Yakima
King
Okanogan
Grant
Ferry
Lewis
Chelan
Clallam
Kittitas
Lincoln
Stevens
PierceAdams
Benton
Klickitat
Whitman
JeffersonDouglas Spokane
Snohomish
Pacific
Skamania
Grays Harbor
Cowlitz
Franklin
Mason
Clark
Walla Walla Asotin
Garfield
Kitsap
Thurston
Skagit
Whatcom
Pend Oreille
Columbia
Island
San Juan
Wahkiakum
MSW_paper
Slide - [email protected]
Eco
nom
ic m
odel
s
Interface
Interface
nterface
Transportation cost Tipping fees
…..
Production economicsFuel price elasticity
…Treatment cost
10
Goal and Scope
Inventory Analysis
Interpretation
SignificanceContribution Consistency
LCA: Computational Framework
Impact Assessment
….Reporting
n
aa
aa ,11,1
Processes
cono
mic
Flo
ws
Products
Fuels
R
…
f
f
1
s
1
Demand e.g. 1000 gal ethanol
Developing at WSU
Slide - [email protected]
nmnm
n
nnn
bb
bb
aa
,,
,11,1
,1,
E
cE
mis
sio
ns
Resources
Gases
Liquids
Solids
Hazards
nf ns
mg
g
1
ns
s
1
Inventoryvector
LCA: Computational Framework
Goal and Scope
Interpretation
SignificanceInventory Analysis
Impact Assessment
SignificanceContribution Consistency
….Reporting
Gases Liquids Solids …
g1
EmissionsInventory
vector Impact vector
Slide - [email protected]
Impa
ct
Cat
egor
ies
Gases Liquids Solids …
m
j
g
g
g
1
mkjkk
mj
qqq
qqq
,,1,
,1,11,1
Global warming
…
Eco-toxicity
kh
h
1
11
LCA Uncertainties Optimization
Goal and Scope
Interpretation
SignificanceInventory Analysis
Impact Assessment
SignificanceContribution Consistency
….Reporting
Gl b l
Mont CarloMont Carlo SimulationSimulationaa
Slide - [email protected]
fAs Inventory
fAs 1 Bsg Qgh … w
ImpactsGlobal impact
Optimization & Optimization & OED techniquesOED techniques
aai,ji,j
bbi,ji,j
Outline
Sustainabilitydecision support
LCA &
Presentation’s methodology focus
Highlighted results
Bio-refinery
On-line Monitoring
& Control
Bio-remediation
Optimization
LCA & Economics
Integrated environmental systems
modeling
Environmental Biotechnology
Research
(III) Life Cycle Assessment
Slide - [email protected]
& Control
Model based experimental design
Modeling kinetics
& biological systems
BiorefineryProcessDesign
12
Development of High Solids Anerobic Digestion(HSAD) Systems
Seed reactor
Gasholder for the seed reactor
Gasholder for solids reactor
Concentrated liquidFor nutrient recovery
Slide - [email protected]
California Energy Commission –WSU High Solids Anaerobic Digestion
Leaching compartmen
t
Solids Reactor
solids reactor
Digested solid wastes
Feed from Leachate
HSAD System Design Criteria
Threshold Optimizationfor process
Design/performance parameter Optimization Typical HSAD system
installation with solid waste
recycle using
(1)New HSAD system with
augmentation
(2)Conventional
HSAD system withfor process
designKompogas
design
augmentation system with solid waste
recycleTotal COD g/L 200 200Optimization Thresholdm3 CH4/ton/day
39.7 39.7
Optimization results for feed rate of 1 ton/day:Methane production efficiency 96% 96%Solids reactor volume m3 17 25 38.3*PerformanceS lid di t l di t 0 06 0 04 0 026
Slide - [email protected]
Solids digester loading rate ton/m3/day (lb/ft3/day)
0.06(3.75)
0.04(2.50)
0.026(1.63)*
Biogas production rate m3/ m3/day 4.62 3 2.8*Methane production rate m3/ m3/day 2.28 1.52Potential fertilizer:
kgN/ton waste 2.10 -- --kgP/ton waste 3.72 -- --
capital cost $/ton including post composting
18.9 27.8 48.6
13
Cost and economic benchmarks(1)
New HSAD system with
augmentation
(2)Conventional HSAD system
with solids recycle
Annual Savings of the new HSAD system
US$ %
Total cost production $/kWh 1.0750517 1.5538188 0.4787671 31%kWh from food waste in
HSAD Systems Economic Analysis
California
kWh from food waste in California 1,229,000,000 1,229,000,000Total cost utilizing all food waste in California (annual savings) $1,321,238,572 $1,909,643,305 $588,404,732 31%kWh from all digestible waste in California 5,130,000,000 5,130,000,000Total cost utilizing all digestible waste (annual savings) $5,515,015,359 $7,971,090,442 $2,456,075,083 31%
rr : relative efficiency ~ 0.8: relative efficiency ~ 0.8 Mixing is 75% of the costMixing is 75% of the cost
Slide - [email protected]
rr yy
SG: specific gravity 1.2SG: specific gravity 1.2
µ: viscosityµ: viscosity
G: mixing intensityG: mixing intensity
gg
California Energy Commission – WSU High Solids Anaerobic Digestion
Washington State Ecology dept.– WSU Energy and Fertilizers from Solids Waste
~35% CO2 : 65% methaneBoeing– WSU LCA of biofuel for aviation
Seed reactor
Gasholder for the seed reactor
Gasholder for solids reactor
Concentrated liquidFor nutrient recovery
CO2 for phototrophic
growth
Purified methane
Slide - [email protected]
Leaching compartment
Solids Reactor
Digested solid wastes
Feed from Leachate
Extraction
Oil for biodiesel / hydrocarbons for
gasoline Note: multi-objective optimization
e.g. using genetic algorithms
14
To agricultural drainTo agricultural drain
Grit and Oil removal
Slide - [email protected]
1,000,000 m3/day average flowfrom 17 km tunnel + 14.7 & 4 left station
Gabal El-Asfar WWT/Biorefinery Plant (GEAWWTP), Cairo, Egypt
GEAWWTP OptimizationNitrify or NOT?
What are the Env. Impacts?•Water pollution•Eutrophication?•Land use•…
What are the Economic Impacts?•Energy in/out•Capital cost•Operation costs
AT FC
RAS
F tE ( )
MLSSM
X
tFtF
T
toi
in
41
)()(
FSL(t)FW(t)FRS(t)
Layer/ zone (1)
Layer (2)
Layer (3)
Layer (4)
•Tariffs / profit•Sustainability
Slide - [email protected]
• M.Sc. (2000), Cairo University, Egypt• Water Intelligence (2004), IWA publishing (on-line)
15
GEAWWTP Improvements
1. Capital cost savings on plant extension
2. Operation cost saving due to not nitrifying
3. Saving > 50 GWh/year
4. Biogas increase due to no NO3
-
5. Improved land use desert reclamation
6. Biodiesel from oil-plants BOT contract
1
2&3
4
5&6
Slide - [email protected]
7. …. 4
A biorefinery…,indeed,
From Built to Natural Environment
Wheat
Slide - [email protected]
Using the CropSyst®
model
16
0.8
[1] WW‐SB‐SW (high) ‐ CT
[2] WW‐SB‐SW (high) ‐RT
[3] WW‐SB‐SW (high) ‐NT
[4] WW‐SB‐FY (middle) ‐ CT
[5] WW‐SB‐FY (middle) ‐NT
[6] WW‐FY (low) ‐ CT
[7] WW‐FY (low) ‐RT
[LCA Scenario No.] Rotation(Rain fall zone) ‐ Tillage ‐‐‐>
N t i i
0
0.2
0.4
0.6
g CO2 e ha‐1 y ‐1
Net emissions
Sequestration
Nitrous oxide emissions
Fertilizer production
Fuel consumption
Slide - [email protected]
‐0.8
‐0.6
‐0.4
‐0.2Mg
Main MessagesMain Messages
• Considering continuity of elemental mass, chargeand energy advances modeling of biochemical multi-molecular transformation
• Applying the continuity constraints expandsmechanistic modeling to multi-scales from the celllevel to the ecosystem
• Integrated modeling on these multi-scales lead tosustainable environmental solutions
• Tackling water energy and climate challenges in such
Slide - [email protected]
• Tackling water, energy and climate challenges in suchintegrated manner is the tripod that supportssustainable environmental decisions