Course content

Overview and description of selected reactor types applied in industry, with main focus on fixed bed, fluidized bed, multiphase reactors, stirred tank reactors, and bioreactors. Discussion on the development of the underlying sub-models composing a reactor model: Chemical kinetics, thermodynamics, flow- and transport processes, and physical data. With basis in simple reactor model types, homogeneous and heterogeneous models will be developed for multiphase reactors. Further discussions on dynamics, non-ideal flow patterns, analysis based on residence time distribution functions, and population balance models.

Learning outcome

At the end of the course the students should be able to: - Understand the working principle of the reactor types most frequently used in the Norwegian industry (fixed bed-, fluidized bed-, bubble column-, stirred tank-, multifunctional reactors, etc). - Basic modeling concepts for reactive multiphase flows. Main differences between pseudohomogeneous- and heterogeneous reaktor models. - Understand complex homogeneous and heterogeneous reactions schems, and know how these can be introduced into the reactor model in a systematic way. - Basic theory for heat- and masstransport, homogeneous and heterogeneous catalysis, reaction kinetics and termodynamics. Gathering suitable correlations to determine model parameters (from literature and/or from experimental data). - Discretization of the computational domain, discretization of the model equations by use of simple numerical methods, implement the model in Matlab, and carry out the simulations of the chemical process in industrial reactors. - Basic principles for design, scale-up and optimization of operational conditions for reactors based on model simulations. - Understand the interaction between theoretical and experimental analyses as tools in optimization of existing chemical processes and to minimize the development expenses for new processes. - Derive the model equations for the evolution of consentration-, temperature, and pressure profiles in fixed bed reactors with basis in the generalized microscopic balance- and conservation equations. Formulate suitable initial and boundary conditions. - Derive the pellet equations for the catalyst with basis in the generalized microscopic balance- and conservation equations. Formulate suitable initial and boundary conditions. - Carry out numerical analysis of effects due to variations in operating conditions like gas velocity, chemical composition, temperature and pressure for a selected number of chemical processes (e.g., SMR). - Distinguish between industrial reactor design (see previous point) and theoretical models (CSTR, PFR, etc). - Model, implement and simulate the relevant chemical processes operated in representative industrial reactors. - Evaluate the accuracy of the numerical computations. - Evaluate whether the simulated results are physically reasonable. Compare the simulated results with experimental data. Model validation.

Learning methods and activities

The general concepts of reactor modeling will be discussed in the lectures and project work. For compulsory projects must be passed in order to get access to the exam. In the projects the student will work applying these concepts to real problems in petrochemistry, biochemistry, environmental chemistry, and other related areas using Matlab. Expected workload per week is three hours of lectures, to hours of exercises and seven hours of self-studying. The total workload in the subject is 200 hours distributed on lectures (25%) and projects/independent studying (75%).

Compulsory assignments

• Oblig

Recommended previous knowledge

Course TKP4110 Chemical Reaction Engineering, course TKP4160 Transport Phenomena, and elementary knowledge of numerical methods. The course is based on the elementary (2nd and 3rd year) compulsory courses in Faculty of Natural Sciences and Technology, but students from other faculties may take the course as well, possibly after an introductory self-study.

Course materials

Jakobsen, H. A.: Chemical Reactor Modeling: Multiphase Reactive Flows, SPRINGER, 2nd edition, 2014 and handouts.

Credit reductions