1. komponenta

Lecture type	Total
Lectures	20

* Load is given in academic hour (1 academic hour = 45 minutes)

Kinetic analysis and selection of an experimental reactor. Basic types of experimental reactors - integral, differential, gradientless and microreactors. Methods of kinetic analysis and processing of experimental results. Model selection and estimation of model parameters. Application of ID algorithm (modified differential method) in estimation of parameters of complex kinetic models. Chemical reactor as a process space. Derivation of mathematical models of reactors based on physical representations and assumptions about the dependencies of state variables and parameters on reactor space and time. Analysis of the influence of the complexity of kinetic models of chemical reaction and mass transfer on the complexity of the reactor model. Modeling of complex reaction systems. Analysis and modeling of reactors for the implementation of reactions in multiphase systems. Optimization of reactor performance. Residence time distribution, stability and selectivity, steady state and dynamic reactor operation. Numerical methods for solving reactor models represented by partial differential equations. Examples: model of a pseudohomogeneous two-dimensional model of a reactor with a fixed catalyst bed, model of a photocatalytic annular reactor, model of a multiphase planar-liquid reactor (bubble column). Selected examples of advanced (structured) reactor designs:
(a) microreactors, (b) monolithic reactors.

1. To propose a mathematical model of a chemical reactor based on physical picture of a process and assumptions about the dependence of states and parameters on the reactor space and time.
2. To judge critically the impact of forms of kinetic models of chemical reactions and processes of mass and heat transfer to the complexity of the reactor model.
3. To assess the parameters of complex kinetic models using the ID algorithm (modified differential method).
4. To analyse the reaction-diffusion dynamics in a microreactor.
5. To compare 1D and 2D heterogeneous models of monolithic reactors used for the catalytic reduction of nitrogen oxides with respect to their applicability.
6. To choose an appropriate numerical method for solving a reactor model described by partial differential equations.

1. Modeling and Simulation of Catalytic Reactors for Petroleum Refining, Petroleum refining
   Reactor modeling in the petroleum refining industry
   Modeling of catalytic hydrotreating
   Modeling of catalytic reforming
   Modeling and simulation of fluidized-bed catalytic cracking converters, Jorge Ancheyta, John Wiley & Sons, 2011.
2. Modeliranje u kemijskom inženjerstvu, Modeli i modeliranje
   Primjeri modela i metodologije modeliranja, Zoran Gomzi, Želimir Kurtanjek, Hrvatsko društvo kemijskih inženjera i tehnologa, Fakultet kemijskog inženjerstva i tehnologije Sveučilišta u Zagrebu, 2019.

D_Temeljni - Regular studij - Chemical Engineering and Applied Chemistry