1. Modelling and Validation
Model development
Validation through experimentation
Future work
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2. 1. Model Building Reaction mechanism and kinetics
Reactor hydrodynamics
Mass, heat, momentum balance equations
Parameter estimation
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3. Reactor Models Sulzer reactor Batch reactor
Loop + PFR + Devolatilisation
PFR + Devolatilisation
Batch Loop
Batch reactor
Continuous stirred tank reactor
22/09/2018

4. Reaction Models Free radical polymerisation
Polymethyl-methacrylate (PMMA)
Polystyrene (PS)
Ziegler-Natta polymerisation
Polypropylene (PP)
New polymers (under research)
Hyperbranched polymers
Tacticity-controlled polymers
Polymer beads
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5. 2. Experiments Pilot-plant Sulzer reactor Bench-scale studies
Batch random tacticity PMMA
Hyperbranched PMMA and PU
Stereospecific polymerisation
Polymer beads
Small-scale batch/loop reactor
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6. Schematic Representation
Monomer
Solvent
Initiator
Output
Recycle
Tubular
Forward Tubular
PFR
Gear Pump
P04
SMX
Mixer PT TT
HX02
HX03
HX04
Devol
Section TI
Monitor & Control PC
Sulzer Reactor System

7. Real-time Monitor

8. “Cold-model” Test Run
Use Xylene run to assess hydrodynamics of this new reactor, SMX, SMXL
Determine non-kinetic parameters
Heat transfer
Dispersion
Quality analysis of reactor operability
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9. Temperature Response
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10. Dynamics of Cooling Jacket
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11. Sustain Oscillation
Complex dynamics in continuous reactor
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12. PI Control for Temperature
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13. PMMA Experiment Scheme
Reactor configuration: PFR + Devo Section
Base conditions (conversion 50%)
MMA(20%)+Xylene (80%) + AIBN(0.1mol/L)
Reaction temperature: 70 C
Flow rate: 4 L/h, residence time 0.98 h
Schedule
At 2h, jacket temperature 80  C, conversion 80%
Measurements: online-0.5 min, sampling - 15 min
Reaction time: 4 hours
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14. Online Measurements
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15. Simulation Results
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16. Parameter Sensitivity
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17. 3. What’s Next? Model improvement (coupled with experimental design)
Model discrimination
Parameter estimation
Quantify the effects of the Static Mixer, pump
Process control (Temperature, Flow, etc)
Optimal operation (Product quality, economics)
Optimal design (in future, when a rigorous model becomes available)
22/09/2018