Model based Analysis, Design, Optimization and Control of Complex (Bio)Chemical Conversion Processes

Bioprocess Technology and Control - KULeuven

Prelude
Design, optimization and control of (bio)chemical conversion processes based on

Historical experience
time consuming capital intensive operation/operator specific

Mathematical model
on-line measurements in silico design, optimization, and control studies

Prelude: complexity trade-off

accuracy complex enough to cover main dynamics

manageability
practical implementation optimization and control

MODEL

Prelude: methodology

Primary model

manageability
accuracy

Prelude: methodology

Model complexity reduction

accuracy

manageability

Balance type equations

accumulation

reaction

transport

Complexity related to
# of states

time & space reaction kinetics dependency

Complexity related to
# of states

Theme #1: Carbon and nitrogen removing activated sludge systems - biodegradation - sedimentation

Objectives:

Fast & reliable simulations Optimization & control

Complexity related to
# of states

Theme #1: Unit operations ASM1 model

Complexity: ASM1 model

()

Complexity reduction

input

output

Aerated tank
Ss Xbh Xs Xba So Snh Xnd time [day] time [day]

Xp

Sno Snd

Theme #2: Filamentous bulking

Aeration tank

Sedimentation tank

Activated sludge Influent Effluent

Long term objectives

Process Control Microbial Community Selection

Image Analysis Procedure

Effluent Water Quality Improvement

Influent Wastewater

Aeration Tank Environment

Experimental set-up @ BioTeC

SLUDGE
Influent

Concentration Loading Settleability Characteristics EFFLUENT

Effluent

Turbidity Quality

Robustness test
Influence of microscope, camera and sludge type ?

ARX model

Theme #3: sWWTPS

Rotating Biological Contactor

Submerged Aerated Filter

Milestones

Model complexity reduction for unit operations Linear Multi (or Fuzzy) Model approach with high predictive quality (input or state driven) Significant reduction in computation time due to analytic solution of LTI state space model (within 1 class) Simple linear model for risk assessment and feedback (MPC) control Microbial dynamics: exploiting image analysis information Application to (s)WWTPS

Complexity related to

Case studies:
* Metabolism of bacterium Azospirillum brasilense * Quorum sensing of bacterium Salmonella typhimurium * Lag/growth/inactivation/survival

reaction kinetics

Objective: Macroscopic/microscopic cell metabolism modeling

Complexity

High added value of specialty chemicals (food additives, vaccins, enzymes, ) Quantification of the influence of external signals on cell metabolism (A. brasilense), and quorum sensing (S. typhimurium). Optimal experimental design of bioreactor experiments

Primary modeling: identification of 14 parameters

Co [%] OD578 D [1/h]

Malate [g/L]

EFT [h]

EFT [h]

Primary modeling: validation

Co [%] OD578 D [1/h]

Malate [g/L]

EFT [h]

EFT [h]

Sensitivity function based model reduction

Sensitivity functions reflect the sensitivity of model predictions to (small) variations in model parameters with given inputs

yi p j

0.001

yi p j

-5

-0.001

time

time

Reduced model: identification experiment

Co [%] OD578 D [1/h]

Malate [g/L]

EFT [h]

EFT [h]

Reduced model: validation experiment

Co [%] OD578 D [1/h]

Malate [g/L]

EFT [h]

EFT [h]

Microbial growth @ constant temperature

Nmax Stationary phase

max

Exponential phase

Lag phase

Escherichia coli K12 (MG1655), Brain Heart infusion, 36.3C

Estimation of microbial growth kinetics as function of temperature

max (T ) b (T Tmin )
b Tmin
SQUARE ROOT MODEL [Ratkowsky et al., 1982]

b
sub-optimal temperature range Topt Tmin

Tmin
Tmax

Constrained input optimisation

Constrained input optimisation

1st experiment: based on po

Constrained input optimisation

2nd experiment: based on p1

Constrained input optimisation

Global identification of experiment 1 & 2

Milestones
Macroscopic modeling: Sensitivity function analysis as a powerful tool to reduce the complexity of a physiology based, first principles model

Microscopic modeling: IBM (Individual based Modeling) linking bio-informatics, with macroscopic mass balance type models

Optimal experimental design of computer controlled bioreactor experiments

Complexity related to

Case study: Fed-batch growth process with nonmonotonic kinetics

reaction kinetics
Objective: Feedback stabilization: keep Cs constant

Case study
u

Two valued function! time

Case study
u

Two valued function! time

Case study
u

Two valued function! time

Controller (on-line Cx measurements)

P-action Feedforward (OC) Stabilizing feedback

observer I-action
= +1 or = -1

Conclusions

Stabilizing feedback controller for fed-batch non-monotonic growth processes Only based on on-line biomass concentration measurements Adaptive: no detailed kinetics information needed ( observer)

Complexity related to

Case study: Tubular chemical reactors

time & space dependency

Objective: Optimal jacket fluid temperature control of - classical reactors, and - novel type reactors

Tubular chemical reactor

Model for tubular reactor: PDE/DPS

C = reactant concentration [mole/L] T = reactor concentration [oK] Tw = jacket fluid temperature [oK]

Combined terminal/integral objective

Determine optimal jacket fluid temperature profile
(

2 )

Conversion Hot spots

Temperature run-away

Comparison with suboptimal profiles

maximum-singular-minimum profile optimal, but singular part difficult to implement maximum-minimum profile not optimal, but practically realizable how much optimality is lost?

Comparison with suboptimal profiles (I): Conversion

0.3

Comparison with suboptimal profiles (II): Hot Spots

0.7

Milestones: optimal control theory for

optimal analytical jacket fluid temperature profiles for classical chemical reactors steady state transient optimization of novel type reactors cyclically operated reverse flow reactors circulation loop reactors optimal reactor design

Postludium

Dealing with complexity during modeling for optimization and control of (bio)chemical processes: a multimodal problem at the interface of various disciplines
We will pass several cases in review over the years to come

 emerging generic results

Development of widely applicable and transferable quantitative tools for complex (bio)chemical processes

WP1

WP2

WP4

WP3