The CRECK Modeling Group

Detailed kinetic mechanisms and CFD of reacting flows

Chemical Plants and Processes (093598)

Chemical Plants (093596)

chemical plantsDescription: This course deals with the different topics related to the unit operations of chemical engineering and their application in processes which are relevant for both the transformation and utilization the energy resources. In the first part, it provides the methods needed for the design and operation of the equipments used for separation and purification operations by distillation, absorption and extraction. Description of the role of transport phenomena end chemical equilibrium in influencing the performance of stage and packed columns The course describes also different chemical processes of interest for the energy sector, such as: processing of raw energy materials into fuels, through petroleum refining or production of synthetic fuels. Catalytic and non-catalytic processes and technologies for the abatement of pollutants emissions (NOx, CO, SOx) from combustion devices. Processes will be described in the light of the principles of thermodynamics and kinetic of reacting systems and of the unit operations of chemical engineering, aiming at providing a rational approach to their analysis.

Instructor: Alessio Frassoldati


Chemical Reaction Engineering and Applied Chemical Kinetics (096116)

Chemical Reaction Engineering (096118)

Chemical Reaction EngineeringDescription: Reaction rate and kinetic constant. Thermodynamic consistence. Material balances in reacting systems. Structure of a reacting system: consecutive reactions, simultaneous reactions, complex reactions. Radical reactions. Pseudo steady state and rate determining step approximations. Physical and chemical adsorption. Mechanism of catalytic reactions. Kinetic theory of gases. Statistical thermodynamics and quantum mechanics. Definition of microstate, microcanonical ensemble. Canonical ensemble (system in contact with a thermal bath). Partition function and its evaluation for a perfect gas. Transition state theory. Heterogeneous reactions. Chemistry of reaction in solution. Bronsted-Bjerrum theory. Interpretation of laboratory kinetic data. Elementary reactions and complex reaction mechanisms. Pyrolysis, partial oxidation and combustion. Ideal reactors: batch reactors, plug flow and perfectly mixed reactors. Steam cracking furnaces and pyrolysis coils. Fixed bed catalytic reactors. Heterogeneous models and effectiveness factor. Importance of diffusion limitations. Fluidized bed reactors. Multiphase flow reactors. Non ideal reactors and age distribution functions. Transient behaviour and stability of operation. Mathematical modelling of ideal chemical reactors and simple solution are presented in order to better understand the relative role and importance of chemical kinetics and transport phenomena in different reactors of industrial relevance.

Instructor: Alberto Cuoci

Teaching Assistant: Alessandro Stagni


Combustion and formation of pollutants (075962)

Combustion and formation of pollutantsDescription: This is an advanced course, whose aim is to provide the student with the fundamental phenomena involved in the pollutant formation during combustion. The emphasis is on the chemistry and chemical kinetics, as well as on the fluidynamics aspects, and their impact on the main emissions. This is an advanced course, whose aim is to provide the student with the fundamental phenomena involved in the pollutant formation during combustion. The emphasis is on the chemistry and chemical kinetics, as well as on the fluidynamics aspects, and their impact on the main emissions. This is an advanced course, whose aim is to provide the student with the fundamental phenomena involved in the pollutant formation during combustion. The emphasis is on the chemistry and chemical kinetics, as well as on the fluidynamics aspects, and their impact on the main emissions.This is an advanced course, whose aim is to provide the student with the fundamental phenomena involved in the pollutant formation during combustion. The emphasis is on the chemistry and chemical kinetics, as well as on the fluidynamics aspects, and their impact on the main emissions.

Instructor: Alessio Frassoldati

Teaching Assistant: Matteo Pelucchi


Error Analysis (060110)

Error analysisDescription: Error Analysis. Measurements and uncertainties. Expected value and best measurement. Inferential measurements and error propagation. Systematic and random errors. Description of the statistical data. Distribution, histogram and frequency curves. Statistical measures: Location (mean, median and mode) and variability (variance).
Fundamental concepts of probability. Measurements as random variables. Expected value and variance of a random variable. Statistical distribution. Normal and Standard Normal Distribution. Sampling distribution of the mean.
Statistical Inference. Population and samples. Statistical estimation. Estimators and Estimates. Maximum likelihood estimation. Interval estimates. Hypothesis testing. Test of best fitting. Correlation analysis. Covariance. Correlation coefficient. Mathematical modeling of correlated measures. Regressions. Linear regression using least squares. Parameter estimations. Confidential interval of parameters and predictions. Coefficient of determination. Multiple Regression. Model evaluation and comparisons of models.

Instructor: Alessio Frassoldati

Teaching Assistant: Giancarlo Gentile


Fluid mechanics and Transport Phenomena (089257)

Fluid mechanics and Transport PhenomenaDescription: Macroscopic mass, heat and momentum balances. Elementary laws for momentum, mass and heat transport (Netwon, Fick, Fourier). Physical properties affecting fluid motion. Outlines of non-newtonian fluids. Conditions at interfacial surfaces (for instance capillarity, meniscus, internal pressure of bubbles and drops, etc.). Undefined equations of mass, energy and momentum balances, and equations governing fluid motion. Fluid statics. Mechanical energy balance: Bernoulli law for perfect fluids. Steady diffusion of mass with and without reaction. Motion of homogeneous fluids: motion inside tubes and distributed or localized pressure losses. Heat and mass transfer: Graetz-Nusselt problem. Motion around objects: laminar boundary layer and thermal boundary layer. Forces around submerged objects, friction factors. Turbulence and some elementary theories (universal velocity profiles into tubes). Transport properties for gases and liquids: viscosity, mass and heat diffusivities. Creeping flow. Evaluation of transport coefficients in natural convection of thermal origin. Analogy among heat and mass transfer. Theory of extended similitude.

Instructor: Tiziano Faravelli

Teaching Assistant: Alberto Cuoci


Fluid dynamics of fires (081256-089648)

Fluid dynamics of firesDescription: Conservation laws of mass, species, energy and momentum in reactive flows. Numerical modeling of turbulent flows: RANS (Reynolds Averaged Navier-Stokes equations) and LES (Large Eddy Simulation) approaches. Basics of finite approximations for partial differential equations: finite difference (FD), finite volume (FV) and finite element methods (FEM). Boundary conditions. High-resolution methods. Grid generation. Practical algorithms for compressible and incompressible flow. Turbulence-chemistry interactions and turbulent combustion models: Eddy Dissipation (ED), Eddy Dissipation Concept (EDC) and Steady Laminar Flamelet (SLF) models. Numerical modeling of particulate formation in fires. Radiative heat transfer models.

Instructor: Alberto Cuoci

Teaching Assistant: Mattia Bissoli


Fundamentals of combustionFundamentals of Combustion (075838)

Description: This is an advanced course, whose aim is to provide the student with the fundamental phenomena involved in the pollutant formation during combustion. The emphasis is on the chemistry and chemical kinetics, as well as on the fluidynamics aspects, and their impact on the main emissions.

Instructor: Eliseo Ranzi

Teaching Assistant: Paulo Eduardo Debiagi

Natta Lecture Award 2015

The Natta Lecture Award 2015 will be conferred to Prof. Katharina Kohse-Hoeinghaus from the University of Bielefeld on the 6th Nov. 2015 in Rogers Conference Room at 14:00

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