Ing Ind - Inf (Mag.)(ord. 270) - MI (422) INGEGNERIA DELLA PREVENZIONE E DELLA SICUREZZA NELL'INDUSTRIA DI PROCESSO

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096118 - CHEMICAL REACTION ENGINEERING AND APPLIED CHEMICAL KINETICS

Ing Ind - Inf (Mag.)(ord. 270) - MI (472) CHEMICAL ENGINEERING - INGEGNERIA CHIMICA

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096118 - CHEMICAL REACTION ENGINEERING AND APPLIED CHEMICAL KINETICS

Obiettivi dell'insegnamento

The goal of the course is to enable students to understand the basic principles of chemical kinetics and to apply them to build kinetic mechanisms and interpret the results of kinetic simulations.

Risultati di apprendimento attesi

Lectures will allow the students to:

Understand the basic concepts of chemical kinetics

Learn the procedure to follow to build a kinetic mechanism

Learn how to analyze the results of a kinetic simulations

Understand the physical meaning of a rate constant

The practicals will allow students to:

evaluate rate constants using the kinetic theory of gases

build and interpret simple kinetic mechanism, both for homogeneous and heterogeneous reactions

evaluate rate constants using transition state theory

Argomenti trattati

Definitions concerning reaction rates and kinetic constants. Temperature and pressure dependence of kinetic constants. Principle of detailed balance. Basic concepts on Potential Energy Surfaces.

Structure of reacting systems: consecutive reactions, simultaneous reactions, complex reactions. Radical reaction mechanisms. Pseudo steady state and rate determining step approximations.

Physical and chemical adsorption. Surface reactions. Mechanism of catalytic and non catalytic reactions.

Kinetic theory of gases. Maxwell velocity distribution function. Collision probability and kinetic reaction theory. Mean free path and collisional frequency.

Statistical thermodynamics and quantum mechanics. Postulates of quantum mechanics. Time independent Schrödinger equation. Definition of microstate, microcanonic ensemble, macrocanonic ensemble. Partition function for an ideal gas. Molecular partition function.

Transition state theory, variational TST and their applications.

kinetic of reactions in solution. Solvent effects. Bronsted-Bjerrum theory.

Experimental determination of kinetic data.

Practicals will be given in parallel to the course. The objective of practicals is to help students in applying the approaches and principles introduced during the lectures. Particular attention will be given to learning how to apply the theoretical methodologies explained during the lectures to determine parameters, such as rate constant, of interest for practical applications.

Prerequisiti

Students are required to know the basic principles of chemical engineering, such as how to write mass and energy balances, as well as thermodynamics.

Modalità di valutazione

The Exam will be partly written and partly oral. In the written part, which is preliminary to the oral exam, the student will be asked to solve some exercises related to the estimation of rate constants, construction of a kinetic mechanism, or analysis of a kinetic simulation.

The colloquium will concern what has been explained during the lectures. Any argument that has been treated may be a subject of questions, which may concern for example the concepts that were introduced, or the mathematical approach used to derive the relevant laws. The purpose of the colloquium is to test the level of understanding of the concepts that were explained during the classes

Bibliografia

J.I Steinfeld, J.S. Francisco, W.L. Hase, Chemical Kinetics and Dynamics, Editore: Prentice Hall, NJ, Anno edizione: 1999
Richard I. Masel, Chemical Kinetics and Catalysis, Editore: Wiley

Forme didattiche

Tipo Forma Didattica

Ore di attività svolte in aula

(hh:mm)

Ore di studio autonome

(hh:mm)

Lezione

32:30

48:45

Esercitazione

17:30

26:15

Laboratorio Informatico

0:00

0:00

Laboratorio Sperimentale

0:00

0:00

Laboratorio Di Progetto

0:00

0:00

Totale

50:00

75:00

Informazioni in lingua inglese a supporto dell'internazionalizzazione

Insegnamento erogato in lingua
Inglese

Disponibilità di materiale didattico/slides in lingua inglese

Disponibilità di libri di testo/bibliografia in lingua inglese

Possibilità di sostenere l'esame in lingua inglese

Disponibilità di supporto didattico in lingua inglese