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Model-based hybrid reaction-separation process design

Model-based hybrid reaction-separation process design. P . T. Mitkowski , G. Jonsson, R. Gani Funded by PRISM (EC) CAPEC Department of Chemical Engineering Technical University of Denmark. Outline. Motivation & Objectives Methodology Case study Conclusion On going work…. Motivation.

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Model-based hybrid reaction-separation process design

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  1. Model-based hybrid reaction-separation process design P. T. Mitkowski, G. Jonsson, R. Gani Funded by PRISM (EC) CAPEC Department of Chemical Engineering Technical University of Denmark

  2. Outline • Motivation & Objectives • Methodology • Case study • Conclusion • On going work…

  3. Motivation • Hybrid process is a combination of at least two processes which influence each other and the optimisation of the design must take into account this interdependency. Motivation Objectives Methodology Case study Conclusion Future work

  4. Motivation • Hybrid processes are finding increasing use in pharmaceutical and biochemical manufacturing providing better alternatives (sometimes only alternatives) in cases where: Motivation Objectives • reaction(s) kinetically or equilibrium controlled - low process yield • difficult separation task - low driving force Methodology Case study • Current design/analysis techniques are largely experiment-based, therefore, there is a potential for reducing time & costs for process development through systematic computer-aided techniques Conclusion Future work

  5. Objectives Develop systematic computer aided methods & tools for design & analysis of a wide range of hybrid processes Needs & Issues • Algorithm for design-selection of processes that may be considered in the hybrid process (systems integration) • Generic model of the hybrid process through a computer aided modelling tool (modelling) • Databases of solvents, membranes, reactions and chemicals (use of available knowledge) • Case studies for validation of models, methods & tools (validation) Introduction Objectives Methodology Case study Conclusion Future work

  6. Methodology: Design Algorithm Introduction Objectives Methodology Case study Conclusion Future work

  7. Methodology: Design Algorithm Introduction Objectives Methodology Case study Conclusion Future work

  8. Methodology: Generic Model Introduction Objectives Methodology Case study Conclusion Future work

  9. Case study Step 1a: Enzymatic esterification of cetyl alcohol with oleic acid [1] Introduction Objectives Methodology Step 1b: Solvent free system Case study Step 2: Increase productivity of cetyl oleate by removing of water. X > 80 mol% Conclusion Future work Step 3: Pervaporation with hydrophilic polymeric membranes to remove water [1] T. Garcia, A.Coteron, J.Aracil, ,Chem. Eng. Science 55,(2000), 1411-1423

  10. Case study: Process scenarios • Batch operation Introduction • different initial conditions Objectives Methodology • Hybrid processes Case study • various rates of addition of components • various component fluxes and Am • various operational parameters in membranes Conclusion Future work

  11. Case study: Model • Step 4: Hybrid process model • Process 1: Reaction • Process 2: Pervaporation Introduction Objectives Methodology Case study Conclusion Future work mcat

  12. where: Case study: Model Mass balance: Introduction Constitutive equations: Objectives Methodology Case study Conclusion Future work + Modified UNIFAC (Lyngby) DAE model: 4 ODEs and AEs 52 ; No. of variables: 117

  13. Case study • Step 4: Feasible design: Hybrid process with pervaporation • polyvinyl alcohol membrane (PERVAP1001, GFT) • Am = 0.0288m2 • tbatch= 5h • tswitch= 0h Introduction Objectives Methodology Am Case study Conclusion Future work

  14. Case study Step 4: Influence of addition of the catalyst on the batch time Introduction Objectives Methodology Case study Conclusion Future work

  15. Case study Step 4: Influence of tswitch at overall process performance in tbatch= 5h Introduction 25 Objectives Methodology Case study Conclusion Future work

  16. Conclusions • Systematic computer-aided methods and tools for hybrid process analysis & design has been developed and has been presented along with case study • The main difficulty is the availability of data, property models and application (performance) models • Computer aided tools help to reduce time and resources needed for hybrid process development • Identifies a small set of alternatives where the experimental effort might be concentrated on Introduction Objectives Methodology Case study Conclusions Future work

  17. On-going work… • Investigation of other hybrid processes – 4 case studies done • Experimental verification of methodology with esterification of Propionic Acid with 1-Propanol (collaboration with University of Dortmund, Chair of Fluid Separation) • Further development of membrane database Introduction Objectives Methodology Case study Conclusion Future work

  18. Thank you for your attention!!!All questions are welcome Acknowledgement: • PRISM - 6th Framework EU project • CAPEC co-workers • PRISM co-workers

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