Politecnico di Torino  
Anno Accademico 2017/18  
01RWRMW Applied physical chemistry 

Corso di Laurea Magistrale in Ingegneria Chimica E Dei Processi Sostenibili  Torino 





Presentazione
The first part of the course is an introduction to the physical chemistry of finely dispersed systems. These systems are largely adopted in process engineering (environmental remediation, formulation chemistry, synthesis of pigments and catalysts) as well as in the production of different kinds of materials (biomaterials, ceramics, polymers and soft matter). The transformations in the dispersed state are strongly influenced by the high surface energy of the system and their study needs a peculiar approach, capable of linking information from the microscopic structure of the interface with the macroscopic global properties of the dispersion. The course will begin with the macroscopic description of the interface provided by surface mechanics and thermodynamics, and will subsequently move towards the aspects related to the smallest scales: surface forces, charge separation and structure of interfaces. Finally, the modes of evolution of a disperse phase will be examined and population balance method will be introduced, as a tool to predict the dynamics of a disperse system.
The second part of the course is focused on the application of molecular methods to the prediction of properties of fluid systems. This part includes the study of the fundamentals of quantum and statistical mechanics, and of the main methods of prediction of thermodynamic and transport properties from the molecular structure of the matter. 
Risultati di apprendimento attesi
The aim of the first part of the course is to provide students with the basic knowledge necessary to understand the main phenomena occurring in heterogeneous finely dispersed systems, and to quantitatively predict and control their behaviour and evolution. In particular, at the end of the course a student should know the main evolution mechanisms of a dispersion and be able to select proper methods to control or modify the size distribution and the morphology of a disperse phase.
The second part of the course is an introduction to the molecular methods of prediction of thermodynamic and transport properties. In this case students are expected to achieve the ability to select and use the proper molecular method of prediction for the studied property and have a basic knowledge of quantum and statistical mechanics. 
Prerequisiti / Conoscenze pregresse
Students should have a good knowledge of the fundamentals of Chemistry, Physics, Thermodynamics, Mathematics and Numerical Methods.

Programma
Part I: Physical Chemistry of dispersed systems (60 h)
1: Mechanics and thermodynamics of interfaces (15 h) Interfacial tension, YoungLaplace equation, capillary rise, contact angle; adsorption and Gibbs isotherm; Kelvin equation and capillary condensation. 2: Surface forces in dispersed systems (10 h) Van der Waals forces; Electrical double layer interaction; Electrostatic stabilisation of colloidal dispersions and DLVO theory; Steric stabilisation; Structural forces; Capillary forces. 3. Structure of the solidliquid interface and electrical double layer (15 h) Mechanisms of surface charge generation; ion distribution and charge distribution; Z potential and electrokinetic phenomena. 4. Evolution of a disperse system (20 h) Aggregationcoalescence: kinetics and mechanisms (Brownian motion, shear flow, turbulence, ...); Nucleation: homogeneous and heterogeneous; Growth and dissolution. Introduction to the population balance approach: characterisation of a population of particles; prediction of the dynamics by the balance equation. Part II: Statistical mechanics for chemical engineering (40 h) 1: Overview of atomic and molecular structure (8 hours) Fundamentals of quantum mechanics, Schrödinger equation, wave functions, atomic structure, molecular structure and orbitals, intermolecular forces. 2: Elements of statistical thermodynamics (14 hours) Intermolecular forces and mechanisms of interaction and collision, fundamentals of kinetic theory and link to the continuum 3: Methods for estimating thermodynamic and transport properties and transport (18 h) Traditional methods (such as kinetic theory and QSPR)and particle methods (such as Direct Simulation Monte Carlo) 
Organizzazione dell'insegnamento
The course is organized in lectures and practical sessions (devoted to the solution of simple problems) in the classroom, together with practical sessions in the computer laboratory for the numerical solution of more complex problems concerning molecular methods.

Testi richiesti o raccomandati: letture, dispense, altro materiale didattico
Some reference books are listed below. The teachers will suggest the proper bibliography.
H.J. Butt, K. Graf, M. Kappl, Physics and Chemistry of Interfaces, WileyVCH. J.C. Berg, An Introduction to Interfaces and Colloids: The Bridge to Nanoscience, World Scientific. P.C. Hiemenz, R. Rajagopalan, Principles of Colloid and Surface Chemistry, CRC Press. J.W. Mullin, Crystallization, Butterworth. Hill, T.L., Introduzione alla Termodinamica Statistica, Piccin. Frenkel, Smit, Understanding Molecular Simulation, Academic Press Levine, Physical Chemistry, McGrawHill. 
Criteri, regole e procedure per l'esame
The exam consists in a written test that lasts approximately two hours and has to be solved without the use of books and handouts. It contains short theoretical questions, to ascertain the knowledge of the basic aspects of the subject, and some simple numerical problems to verify the ability to quantitatively predict the response of a system. After the written test, the exam can be concluded (in this case the maximum grade is 27/30) or it can be continued with an additional oral exam, which aims at evaluating in depth the comprehension of the subject.

Orario delle lezioni 
Statistiche superamento esami 
