Computer-Aided Chemical Reaction Engineering Datorberäkningar för industriella reaktorer

Transcription

1 ÅBO AKADEMI Teknisk kemi och reaktionsteknik PCC Biskopsgatan 8 FIN Åbo/Turku, Finland Phone Telefax Phone tapio.salmi@abo.fi Graduate School in Chemical Engineering (GSCE) International University of Turku/Åbo A Course (8 cr, Bologna) Computer-Aided Chemical Reaction Engineering Datorberäkningar för industriella reaktorer CACRE Industrial Chemistry and Reaction Engineering, Åbo Akademi, Axelia building, Biskopsgatan 8/Piispankatu 8, Turku/Åbo

2 Computer-Aided Chemical Reaction Engineering (CACRE2009) Lecturers and demonstrators Dr. Grigori Yablonskii, Professor, University of Ohio Honorary guest lecturer surface-reaction based models in chemical reactors Dr. Heikki Haario, Professor, Lappeenranta University of Technology Honorary guest lecturer Numerical methods Dr. Tapio Salmi, Academy professor at Åbo Akademi - Chemical kinetics, modelling of chemical reactors, catalytic processes Dr. Dmitry Murzin, Professor in Chemical Technology at Åbo Akademi - Heterogeneous catalysis - Chemical kinetics Dr. Johan Wärnå, Åbo Akademi, Professor in Chemical Reaction Engineering, Åbo Akademi - Modelling of chemical reactors Dr Matias Kangas - Kinetic modelling of chemical systems - Micro and mesoporous materials M. Sc. José R. Hernández Carucci - Microreactor technology - Process and reactor simulation Course material Will be distributed in the beginning of the course Language English Please, send your confirmation of the participation in the course by to Dr Matias Kangas latest at 1.5 (matias.kangas@abo.fi)

3 CACRE2009 Programme Wednesday Basics of classical reactor modelling homogeneous reactors Numerical methods for reactor modeling Principles for construction of software Exercises (Tapio Salmi, Johan Wärnå, Matias Kangas)) Thursday Basics of classical reactor modelling reactor dynamics, steady state multiplicity, parameter sensitivity Physical properties and correlations Presentation of software (Tapio Salmi, Johan Wärnå, Matias Kangas, José Hernandez Carucci)) Exercises (Johan Wärnå, Matias Kangas, José Hernandez Carucci) Friday 8.5 Catalytic fixed bed reactors models, algorithms and software Exercises (Tapio Salmi, Johan Wärnå) Monday Catalytic fluidized beds models and model solution strategies Three-phase reactors models for batch and continuous systems (Tapio Salmi, Johan Wärnå)

4 Case studies Transient three-phase reactor modelling Exercises (Tapio Salmi, Johan Wärnå, Matias Kangas) Tuesday 12.5 Fluid-fluid reactors models and solution strategies Case studies Exercises (Johan Wärnå) Wednesday 13.5 Fluid-solid reactions and reactors Laboratory reactors and experiments in the collection of kinetic data; differential, integral and initial rate methods Principles of parameter estimation using nonlinear kinetic and reactor models -Algebraic, implicit algebraic and differential models- Presentation of parameter estimation cases Exercises (Johan Wärnå, Matias Kangas) Thursday 14.5 Practical aspects and recent development in parameter estimation - How to do the work in practice, sensitivities, contour plots, identifiability, Monte Carlo methods (Johan Wärnå, Heikki Haario) Parameter estimation starts Parameter estimation continues (H. Haario, T. Salmi, J. Wärnå, M. Kangas) Friday Completion of the parameter estimation exercises (H. Haario, M. Kangas, J. Wärnå)

5 Monday Process intensification in reaction engineering (T. Salmi) Catalytic microreactors (J. Hernandez Carucci) Special symposium in kinetics of heterogeneous catalysis (I) Introduction (D. Murzin) Linear algebra in chemical kinetics Steady-state chemical kinetics (G. Yablonskii Demonstrations and exercises Tuesday Special symposium in kinetics of heterogeneous catalysis (II) Non-steady state chemical kinetics Real models of heterogeneous catalysis Decoding the complex catalytic mechanisms Demonstration examples and exercises (G. Yablonskii, D. Murzin, M. Kangas) Final remarks and farewell coffee