CEE 9675: Lecture 5

Lecture Overview
Unified modelling protocol
• Step-1: Project definition
• Step-2: Data collection and reconciliation
• Step-3: Plant model setup
• Step-4: Calibration and validation
• Step-5: Simulation and result interpretation
A note on quality assurance and quality control

Reference: Wastewater Treatment Process

Department of CEE modeling, WEF Manual of Practice 2013
Department
Prof Martha of Civil
Dagnew, May &
25- 2021
Environmental Engineering
 Protocol steps
Data
Project collection Plant model Calibration Simulation
definition and setup and and result
reconciliation validation interpretation

2
Step-1: Project definition
• Modelling projects are defined on the basis of
• Objectives and requirements:
• Why use modelling,
• Answer which questions and Project definition
• What model quality required Problem statement
• Available data
Definition of Objectives

Determination of
requirements

No
Agreement

Yes
Data collection and reconciliation
Step-1: Project definition
Model use Objectives
Planning • Used for screening during capital improvement programs, conceptual studies,
models and proposals
• Used for to evaluate existing capacities and forecast future system capacities
and effluent quality
• Forecast effects of wet weather flows
✓ Model results are used to determine the most suitable option
Design • Current water quality and flow data are used to assess flows and loads that can
(upgrade) be treated to existing or future effluent limits with existing plant or assess unit
models process changes
✓ Implications on cost, operational flexibility and effluent quality
Design - • Using models for new facility design, often data for the site may not available
greenfield ✓ Pre and detailed design
Operations • Operate an actual facility system, to test different control strategies, to identify
models chemical dosage, power, aeration etc requirements, also use to develop the
probability distribution of treatment levels
Training • Models help to communicate the behavior of highly interrelated complex systems
Research • Models help understand new processes and technologies (help interpret data)
models
Step-1: Project definition
Scope Description
Objectives • Define list of tasks (eg. determine aeration demand for summer and winter
season)
Requirements • Model boundaries and layout of the system (selecting unit processes or
systems to model)
• Solid vs liquid train modelling, whole facility model or single process),
• Combined or individual process component modelling
• Selecting steady state vs dynamic model
• Data requirement for modelling (data quality and quantity)
• Availability and quantity of historical data
• Special sample data from a sampling program (type and sampling
frequency)
• Kinetic tests
• Calibration and validation methodologies (stop criteria for calibration and
model performance criteria)
• Quality control (hand calculation check, model review, reality check)
• Specifying sensitivity analysis for unknown or assumed parameters used in the
modelling
• Uncertainties (understand the uncertainty and the level of accuracy for
modelling)
 Protocol steps
Project Data
Plant model Calibration Simulation
collection and and and result
definition reconciliation setup
validation interpretation

6
Step-2: Data collection and reconciliation
Data collection and reconciliation
• This step aims at collecting, Understand the plant
assessing and reconciling (if
necessary) datasets for Collecting of existing data
simulation projects
Data analysis and
reconciliation
• Deliverable: reconciled data
set which are the single data Planning of additional
No
measuring campaigns
sources for all subsequent
steps of the simulation.
Agreement

Yes
Carrying out additional
measuring campaigns and
data quality checks

Agreement

Yes
Plant Model Setup
Step-2: Data collection and reconciliation
• Data collection:
• Existing (process-related and historical data)
• Influent data (quality and quantity)
• Operational data
• Effluent data
• Existing sensor data
• Flowmeters
• Online sensors
• Special data requirement
• Influent fractions
• Diurnal profiles
• Settling test
• Aeration tests
• Kinetic studies
• Facility wide sampling
Step-2: Data collection and reconciliation
Process Minimum data needed Impact of modeling
Primary clarifier
performance %TSS, % C(B)OD removal Defines loads to secondary processes
Operational Primary sludge flowrate, % TSS Defines loads to biosolids processing
Aeration basins
Performance Effluent NH3-N, NOx-N, PO4-P Calibrating activated sludge model
Operational MLSS, MLVSS, DO, RAS Nutrients and soluble BOD profiles also
flowrate useful
Secondary
clarifiers SVI, effluent TSS, C(B)OD Calibrating settling model
Performance RAS, WAS flowrates, %TSS WAS data defines sludge yield
Operational
Sludge thickening
Performance Thickened solids flow, % TS Defines load to biosolids processing
Operational %TS removal, chemical doses Defines side-stream loads
AD Defines loads to dewatering, side-stream
Performance SRT, %VSr nutrient loads
Operational Temperature, DO, airflow
Dewatering
Performance Dewatered solids flow, % TS Defines cake
Operational %TS removal, chemicals, Defines side stream return loads
nutrients
Step-2: Data collection and reconciliation
Apply one or several independent checks to verify the consistency of the data
• Fundamental checks
• Flow balances
• Mass balances on inert components or total phosphorus
• Solids can be considered inert around clarifiers (assuming no bio-reaction)
• Empirical checks based on engineering knowledge
• Traditional design guidelines
• Typical ratios [COD/BOD, TSS/BOD, TKN/OD, VSS/TSS, pCOD/VSS,
MLVSS/MLSS]
• Typical yields
• Use statistics
• identify invalid data
• Identification and repair: Check what is causing the error, see if the current
data can be corrected, check instrumentation, methods etc
Step-2: Data collection and reconciliation Typical ratios

11
Step-2: Data collection and reconciliation
Typical ratios

12
 Protocol steps
Data
Project collection Plant model Calibration Simulation
definition and setup and and result
reconciliation validation interpretation

13
Step-3: Model setup
• This step involves setting up a Data collection and reconciliation
plant model by translating real
Plant layout selection
world data to a simplified
mathematical description of Setup sub-model
reality. structures
Connect plant model to
database and files
• Deliverable: Base plant
model. Report on plant model Prepare (output) graphs
No
and Tables
setup which it should be
agreed.
Agreement

Yes
• Identify deviations from Model calibration and validation
original project definition and
possible modification to the
project definition
Step-3: Model setup
• Plant layout selection: need current PFD and PID
• Number of treatment units in parallel or in series
• Merging parallel treatment units into one unit
• Reactor volume, surface area, depth
• Additional process specific information (elevation, number of
diffusers…)
• Selection of sub-model
• Influent Model (raw WW, sidestream, industrial, chemical etc)
• Decision need to be made if the different sources are modeled
separately
• Most of the activities will be spent on influent characterization and
aligning effluent concentration with measured data (assuming no
biological reactions in the clarifier)
• State all assumptions
• Biokinetic, clarifier, aeration and other models
• Operational parameters
• Operational setpoints
• Controllers (recycle flows, solids retention time, aeration etc)
 Step-3: Model setup
Reason for addition Typical chemicals used Modeling considerations
Odor control Nitrate (other oxidants) Prevent fermentation in the collection system
Collection system Iron salts Overdosing can precipitate P and cCOD
CEPT Iron and aluminium salts, polymer Increase PC remving efficiencies, precipitate P
and cCOD
Denitrification Acetic acid, glycerol, methanol, Each chemical has specific Yield
waste products, other proprietary Account for any N & P associated
products, corn syrup Inputs should be expressed as COD units
Biological P Acetic and propionic acid Express as COD units, check for potential VFA
removal fermentation on site (clarifier, anaerobic
zones, during sludge storage)
Chemical P removal Iron salts, Aluminum salts pH and alkalinity will be lowered
Settling, filtration, Polymer Can affect clarifier model assumptions
thickening,
dewatering
Filament Control Chlorine, PACL Chlorine overdose may inhibit nitrification
PACl overdose may precipitate phosphorus
Struvite Control Iron salts Will precipitate P (Mg), affect sidestream
quality
Step-3: Model setup
Selection of sub-models
a. Biokinetic Models
• What biokinetic reactions do I need to model to meet my objectives?
• Where in the facility are biokinetic reactions taking place (aeration, clarifier,
sludge holding tank, digester…), do I need to model all of them?
• Do I have data to calibrate the model for these biokinetic reactions?
b. Clarifier Models
• Using fixed-percent TSS removal
• Using one dimensional model that accounts for storage, biological reactions
c. Aeration Models
• Specifying a dissolved oxygen concentration and letting the model to predict the
airflow needed to achieve that set point
• Specifying airflow and letting the model predict the resulting DO concentration
• Either approach requires the knowledge of the diffuser equipment, its transfer
efficiency at given operating conditions, the alpha value, the ratio of the process
to clean water mass transfer
Step-3: Model setup
Selection of sub-models
d. Other models
• Some model layouts may require additional sub-models to simulate:
• filters
• disinfection
• dissolved air flotation
• Side stream treatment
• membranes
• Manufacturers often use their own proprietary models
• You need to know how to integrate them with the full plant model
 Protocol steps
Data
Project collection Plant model Calibration Simulation
definition and setup and and result
reconciliation validation interpretation

19
Step-4: Calibration and validation
• Model calibration is the process of modifying input parameters until
simulation results match the observed dataset. Process models for
existing facilities must be calibrated to accurately describe the
performance of the existing treatment processes
• Data for input: Modifying influent fractions, hydrodynamics and
operational
• kinetic parameters: requires rate studies, last option (for a typical
data, the need to change kinetic data suggests erroneous data or
wrong transport model (mixing)
• Perform sensitivity analysis to determine the most influential
parameters
• Use a table to define and track all parameter changes
• The process is completed when simulated results match experimental
ones, within a previously defined margin of error
• Data for output: Water quality, sludge production and oxygen
demand
• stopping criteria
Step-4: Calibration and validation
• Validation tests are performed to ensure the use of the plant model
with the level of confidence required to meet modelling objectives
• validation of the model occurs by using the calibrated model to
match facility performance over a different time period
• The model should be validated using a dataset, which is
independent of calibration data but still reflects the targeted model
application
• Uncertainty analysis should be performed (based on data, model
structure, model parameters and other sources of uncertainty) to
assess the domain of validity of the model and its accuracy

Applying models without calibration and validation can be considered engineering

negligence and can results in designs that fail to meet effluent criteria
Step-4: Calibration and validation
• Identify target variable
1. Stop Criteria refinement • Define acceptable error ranges (stop criteria)

• Enter reconciled calibration data into model

2. Initial model run
• Compare simulation results with plant data

Yes Stop criteria

reached?
No
3. Calibration • Select parameters to change based on:
• Experience or sensitivity analysis
• Adjust selected parameters
• Re-simulate using the calibrated parameter set
• Compare simulation results with plant data

Back to step 2 Stop criteria No

Additional data collection reached?
Yes
• Enter reconciled validation data into model
4. Validation • Use calibrated model
• Compare simulation results with plant data
Back to step 3
No Validation
Plant model setup
accepted?
Yes 22
 Step-4: Calibration and validation
Common target variables and stop criteria for model calibration (Rieger et al. 2012)
Modeling task Averaging period Target variable Acceptable
error range (±)
Calculate sludge production Monthly average MLSS 10%
MLVSS/MLSS 5%
WAS mass load 5%
Effluent TSS 5 mg/L
SRT <20%
Design aeration system Monthly average Airflow rate 10%
Daily average Dissolved oxygen 0.3 mg/L
Hourly peaks Oxygen uptake rate 10 mg/L/h
Develop a process configuration Monthly or annual average NH3-N and NOx-N 1 mg/L
for N removal
Design a treatment system to meet Instantaneous values NH3-N, NOx-N and 0.5 mg/L
peak effluent N limits TN
Develop a process configuration Monthly or annual average PO4-P and TP 0.5 mg/L
for P removal
Assess plant capacity for N Monthly or annual average NH3-N, NOx-N, TN 1 mg/L
removal
Make the most of aeration control Hourly average Air flowrate 10%
DO 0.5 mg/L
Effluent NH4-N 0.5 mg/L
 Step-4: Calibration and validation
Common target variables and stop criteria for model calibration (Rieger et al. 2012)

Modeling task Averaging period Target variable Acceptable

error range (±)
Test effect of taking tanks out of Monthly average NH3-N, NOx-N , TN 1 mg/L
service PO4-P , TP 0.5 mg/L
Use model to develop sludge Weekly average WAS mass load 10%
wasting strategy Daily average SRT 1d
NH3-N 1 mg/L
PO4-P 0.5 mg/L
Develop a strategy to manage Hourly average MLSS 10%
storm flows Effluent TSS 10 mg/L
NH3-N, NOx-N 1 mg/L
PO4-P 0.5 mg/L
Develop a site specific model for Monthly MLSS 10%
operator training WAS mass load 5%
Effluent TSS 5 mg/L
NH3-N, NOx-N , PO4-P 1 mg/L
Air flowrate 10%
DO 0.5 mg/L
 Protocol steps
Data Calibration Simulation
Project Plant model
collection and and and result
definition setup
reconciliation validation interpretation

25
Step-5: Simulation and result interpretation
• The calibrated and validated Simulation and result interpreation
model is used to run s-
Define scenarios
simulations to meet objective
laid out in the project Setup plant model for
definition scenarios

Run simulations
• Deliverable: Final versions of
the plant model, plus variants Present and interpret the
No
results
from different scenarios, a
final report including
simulation and result Agreement
interpretation plus information
from previous stems Yes
Model calibration and validation
5. Quality Assurance and Quality Control

27
Quality Assurance and Quality Control
Example checklist for minimum QA/QC tasks
Schedule Modeler’s task QA engineer task QC engineer task
Data collection - Check PFD - Compare data - Cross reference other
- Verify sample points and collection plan with sets of drawings and
probe locations industry practice reports
- Confirm physical facility - Review data collection
data, operational conditions Obtain stakeholder
feedback
Data - Fundamental checks - Comment of all - Review modeler’s data
reconciliation - Empirical checks assumptions especially analysis report and
- Historical checks on data repair confirm all assumptions
- Identification and repair - Comment on the - Check spreadsheets
design conditions with - Obtain Stakeholder
respect to service area feedback
growth or changes
Facility model Check influent Comment on choice of Review model layout,
setup stoichiometry balance sub models input/output spreadsheet
Check each splitter,
combiner for accurate
connections
Check input-output
spreadsheets
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 Quality Assurance and Quality Control
Example checklist for minimum QA/QC tasks
Schedule Modeler’s task
Calibration and - Validate with second data
validation set if budget allows
- Document all model
inputs, outputs, results
Using the model - Conduct sensitivity
analysis and/or Mote Carlo
simulations to validate
design
- Check model results with
parallel modeling, hand
calculations, or vendor
recommendations
- Document all model
inputs, outputs, results, and
archive files
QA engineer task QC engineer task
- Comment on - Review model
adjustments development report
- Comment on
applicability of
calibration/validation
conditions to future
design conditions
- Compare design - Compare design
parameters to typical parameters to
published values state/regulatory policies
- Compare design to for minimum values
other designs similar in - Confirm that startup
size and location and minimum turndown
- Suggest other “what if” conditions are satisfied
scenarios such as more
stringent regulations
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